6-cyano-4-methylpyridine-3-carboxylic acid

C8H6N2O2 — CID 130894827

IUPAC6-cyano-4-methylpyridine-3-carboxylic acid
SMILESCc1cc(C#N)ncc1C(=O)O
InChIInChI=1S/C8H6N2O2/c1-5-2-6(3-9)10-4-7(5)8(11)12/h2,4H,1H3,(H,11,12)
InChIKeyVJFSTKYDJLNHDK-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.96
Rot. Bonds1

About 6-cyano-4-methylpyridine-3-carboxylic acid

6-cyano-4-methylpyridine-3-carboxylic acid (PubChem CID 130894827) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 6-cyano-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-cyano-4-methylpyridine-3-carboxylic acid
PubChem CID130894827
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name6-cyano-4-methylpyridine-3-carboxylic acid
SMILESCc1cc(C#N)ncc1C(=O)O
InChIInChI=1S/C8H6N2O2/c1-5-2-6(3-9)10-4-7(5)8(11)12/h2,4H,1H3,(H,11,12)
InChIKeyVJFSTKYDJLNHDK-UHFFFAOYSA-N
XLogP0.96
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethylpyridine-3-carboxylic acid
CID 817290
5-fluoro-4-methylpyridine-2-carbonitrile
CID 118235335
6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid
CID 155342208
4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 107671245
6-cyano-2,4-dimethylpyridine-3-carboxylic acid
CID 57431550
4-chloro-5-methylpyridine-2-carbonitrile
CID 75422082
(6-cyano-4-methyl-3-pyridinyl) hypofluorite
CID 142338258
4-cyano-5-fluoro-2-methylbenzoic acid
CID 130980145
2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 118694937
2-cyano-5-methoxypyridine-4-carboxamide
CID 13238726
4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 102545588
2-cyano-5-methylpyridine-4-sulfonyl chloride
CID 58133680

Frequently Asked Questions

What is the IUPAC name of 6-cyano-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-cyano-4-methylpyridine-3-carboxylic acid (CID 130894827) is 6-cyano-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-cyano-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-cyano-4-methylpyridine-3-carboxylic acid is Cc1cc(C#N)ncc1C(=O)O.
What is the InChIKey of 6-cyano-4-methylpyridine-3-carboxylic acid?
The InChIKey is VJFSTKYDJLNHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c1-5-2-6(3-9)10-4-7(5)8(11)12/h2,4H,1H3,(H,11,12).
What are the key properties of 6-cyano-4-methylpyridine-3-carboxylic acid?
6-cyano-4-methylpyridine-3-carboxylic acid has a molecular weight of 162.15 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 130894827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).