CAS
1027757-13-6 Purity
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1027757-13-6 Purity
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2-Amino-3-nitropyridine-5-boronic acid pinacol ester
CAS
1032758-80-7
Catalog Number
ACM1032758807-1
Category
Boronic Esters
Molecular Weight
265.08g/mol
Molecular Formula
C11H16BN3O4
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Specification
IUPAC Name
3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)[N+](=O)[O-]
InChI
InChI=1S/C11H16BN3O4/c1-10(2)11(3,4)19-12(18-10)7-5-8(15(16)17)9(13)14-6-7/h5-6H,1-4H3,(H2,13,14)
InChI Key
HXMCKJVPNJJZTO-UHFFFAOYSA-N
Complexity
355
Covalently-Bonded Unit Count
1
Exact Mass
265.123386g/mol
Formal Charge
0
H-Bond Acceptor
6
H-Bond Donor
1
Heavy Atom Count
19
Monoisotopic Mass
265.123386g/mol
Rotatable Bond Count
1
What is the molecular formula of 2-Amino-3-nitropyridine-5-boronic acid pinacol ester?
The molecular formula is C11H16BN3O4.
When was 2-Amino-3-nitropyridine-5-boronic acid pinacol ester created?
It was created on July 26, 2010.
What is the IUPAC name of 2-Amino-3-nitropyridine-5-boronic acid pinacol ester?
The IUPAC name is 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the InChI of 2-Amino-3-nitropyridine-5-boronic acid pinacol ester?
The InChI is InChI=1S/C11H16BN3O4/c1-10(2)11(3,4)19-12(18-10)7-5-8(15(16)17)9(13)14-6-7/h5-6H,1-4H3,(H2,13,14).
What is the InChIKey of 2-Amino-3-nitropyridine-5-boronic acid pinacol ester?
The InChIKey is HXMCKJVPNJJZTO-UHFFFAOYSA-N.
What is the Canonical SMILES representation of 2-Amino-3-nitropyridine-5-boronic acid pinacol ester?
The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)[N+](=O)[O-].
What is the CAS number of 2-Amino-3-nitropyridine-5-boronic acid pinacol ester?
The CAS number is 1032758-80-7.
How many hydrogen bond donor counts does 2-Amino-3-nitropyridine-5-boronic acid pinacol ester have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 2-Amino-3-nitropyridine-5-boronic acid pinacol ester have?
It has 6 hydrogen bond acceptor counts.
What is the topological polar surface area of 2-Amino-3-nitropyridine-5-boronic acid pinacol ester?
The topological polar surface area is 103Ų.
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