5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid

C14H10N2O2 — CID 115042471

IUPAC5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid
SMILESCc1ccccc1-c1cc(C(=O)O)c(C#N)cn1
InChIInChI=1S/C14H10N2O2/c1-9-4-2-3-5-11(9)13-6-12(14(17)18)10(7-15)8-16-13/h2-6,8H,1H3,(H,17,18)
InChIKeyRQPYQBBCBLIJMU-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.63
Rot. Bonds2

About 5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid

5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid (PubChem CID 115042471) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid
PubChem CID115042471
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid
SMILESCc1ccccc1-c1cc(C(=O)O)c(C#N)cn1
InChIInChI=1S/C14H10N2O2/c1-9-4-2-3-5-11(9)13-6-12(14(17)18)10(7-15)8-16-13/h2-6,8H,1H3,(H,17,18)
InChIKeyRQPYQBBCBLIJMU-UHFFFAOYSA-N
XLogP2.63
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid
CID 115043513
2-[[6-(2-cyanophenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid
CID 58415881
2-cyano-5-methylbenzoic acid
CID 66570727
2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid
CID 112561990
6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 63462482
2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]benzoic acid
CID 13125665
2,5-dimethylbenzoic acid;2,5-dimethylbenzonitrile
CID 160621649
2-[(3-cyano-6-methylquinolin-4-yl)amino]benzoic acid
CID 167600659
2-(4-cyano-5-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid
CID 45257151
bis(2-methylbenzoic acid);hydrate
CID 69398343
6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane
CID 143490047

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid?
The IUPAC name of 5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid (CID 115042471) is 5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid is Cc1ccccc1-c1cc(C(=O)O)c(C#N)cn1.
What is the InChIKey of 5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid?
The InChIKey is RQPYQBBCBLIJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-9-4-2-3-5-11(9)13-6-12(14(17)18)10(7-15)8-16-13/h2-6,8H,1H3,(H,17,18).
What are the key properties of 5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid?
5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 115042471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).