CAS
98264-90-5 Purity
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98264-90-5 Purity
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4,6-Dichloro-2-pyridinecarboxylic acid methyl ester
CAS
98273-19-9
Catalog Number
ACM98273199
Category
Other Products
Molecular Weight
206.026100 [g/mol]
Molecular Formula
C7H5Cl2NO2
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Specification
Synonyms
Methyl 4,6-dichloropicolinate, 98273-19-9, methyl 4,6-dichloropyridine-2-carboxylate, CTK5H9791, MolPort-019-918-655, ANW-50393, AKOS015848848, AG-L-25340, QC-1018, RP26203, 2,4-Dichloro-6-(methoxycarbonyl)pyridine, AK-49057, BR-49057, KB-35768, KB-88437, W9840, C-2451, 4,6-Dichloro-pyridine-2-carboxylic acid methyl ester
IUPAC Name
methyl 4,6-dichloropyridine-2-carboxylate
SMILES
COC(=O)C1=NC(=CC(=C1)Cl)Cl
InChI Key
MXHPWLMQTZILLL-UHFFFAOYSA-N
Exact Mass
204.97000
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 4,6-Dichloro-2-pyridinecarboxylic acid methyl ester?
The molecular formula is C7H5Cl2NO2.
When was 4,6-Dichloro-2-pyridinecarboxylic acid methyl ester created in PubChem?
It was created on December 4, 2007.
What is the molecular weight of 4,6-Dichloro-2-pyridinecarboxylic acid methyl ester?
The molecular weight is 206.02 g/mol.
What is the InChI key of 4,6-Dichloro-2-pyridinecarboxylic acid methyl ester?
The InChI key is MXHPWLMQTZILLL-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 4,6-Dichloro-2-pyridinecarboxylic acid methyl ester have?
It has 3 hydrogen bond acceptors.
Is the compound is canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
What is the topological polar surface area of 4,6-Dichloro-2-pyridinecarboxylic acid methyl ester?
The topological polar surface area is 39.2 Å2.
How many defined atom stereocenters does 4,6-Dichloro-2-pyridinecarboxylic acid methyl ester have?
It has 0 defined atom stereocenters.
What is the complexity value of 4,6-Dichloro-2-pyridinecarboxylic acid methyl ester?
The complexity value is 177.
What is the CAS number for 4,6-Dichloro-2-pyridinecarboxylic acid methyl ester?
The CAS number is 98273-19-9.
Upstream Synthesis Route 1
- 98-98-6
- 67-56-1
- 24484-93-3
- 98273-19-9
Reference: [1] Organic Preparations and Procedures International, 1997, vol. 29, # 1, p. 117 - 122
Upstream Synthesis Route 2
- 67-56-1
- 98138-06-8
- 98273-19-9
Reference: [1]Journal of Organic Chemistry,1958,vol. 23,p. 1030
Downstream Synthesis Route 1
- 98273-19-9
- 132683-62-6
Reference: [1] Patent: US5750549, 1998, A,
Downstream Synthesis Route 2
- 98273-19-9
- 88912-25-8
Reference: [1] Patent: US6610853, 2003, B1,
Downstream Synthesis Route 3
- 98273-19-9
- 858443-28-4
Reference: [1]Journal fur praktische Chemie (Leipzig 1954),1932,vol. <2> 133,p. 36,49
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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