Structure

Methyl 2-amino-5-bromoisonicotinate

CAS
882499-87-8
Catalog Number
ACM882499878
Category
Bromine Series
Molecular Weight
231.05
Molecular Formula
C7H7BrN2O2

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Specification

Synonyms
882499-87-8, Methyl 2-amino-5-bromoisonicotinate, METHYL 2-AMINO-5-BROMO-4-PYRIDINECARBOXYLATE, methyl 2-amino-5-bromopyridine-4-carboxylate, AG-H-55625, PubChem18565, ACMC-209qs0, SureCN339661, CTK5F9545, MolPort-001-767-781, ANW-38974, ZINC12471953, Methyl 2-amino-5-bromoisonicotinate,, AKOS004911065, AC-5943, HE-0229, MCULE-1930174889, QC-1641, RP05544, AK-30491
IUPAC Name
methyl 2-amino-5-bromopyridine-4-carboxylate
SMILES
COC(=O)C1=CC(=NC=C1Br)N
InChI Key
FJPDYKLTAURVRU-UHFFFAOYSA-N
Boiling Point
311.5ºC at 760 mmHg
Density
1.662 g/cm³
Exact Mass
229.96900
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Methyl 2-amino-5-bromoisonicotinate?

The molecular formula of Methyl 2-amino-5-bromoisonicotinate is C7H7BrN2O2.

What is the molecular weight of Methyl 2-amino-5-bromoisonicotinate?

The molecular weight of Methyl 2-amino-5-bromoisonicotinate is 231.05 g/mol.

What is the IUPAC name of Methyl 2-amino-5-bromoisonicotinate?

The IUPAC name of Methyl 2-amino-5-bromoisonicotinate is methyl 2-amino-5-bromopyridine-4-carboxylate.

What is the InChI of Methyl 2-amino-5-bromoisonicotinate?

The InChI of Methyl 2-amino-5-bromoisonicotinate is InChI=1S/C7H7BrN2O2/c1-12-7(11)4-2-6(9)10-3-5(4)8/h2-3H,1H3,(H2,9,10).

What is the InChIKey of Methyl 2-amino-5-bromoisonicotinate?

The InChIKey of Methyl 2-amino-5-bromoisonicotinate is FJPDYKLTAURVRU-UHFFFAOYSA-N.

What is the canonical SMILES of Methyl 2-amino-5-bromoisonicotinate?

The canonical SMILES of Methyl 2-amino-5-bromoisonicotinate is COC(=O)C1=CC(=NC=C1Br)N.

What is the CAS number of Methyl 2-amino-5-bromoisonicotinate?

The CAS number of Methyl 2-amino-5-bromoisonicotinate is 882499-87-8.

What is the European Community (EC) number of Methyl 2-amino-5-bromoisonicotinate?

The European Community (EC) number of Methyl 2-amino-5-bromoisonicotinate is 663-515-5.

What is the XLogP3-AA value of Methyl 2-amino-5-bromoisonicotinate?

The XLogP3-AA value of Methyl 2-amino-5-bromoisonicotinate is 1.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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