4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid

C15H12N2O3 — CID 155342269

IUPAC4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid
SMILESCOc1ccc(C#N)cc1-c1cc(C)ncc1C(=O)O
InChIInChI=1S/C15H12N2O3/c1-9-5-11(13(8-17-9)15(18)19)12-6-10(7-16)3-4-14(12)20-2/h3-6,8H,1-2H3,(H,18,19)
InChIKeyWDSWBUQXGQQCGT-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.64
Rot. Bonds3

About 4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid

4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid (PubChem CID 155342269) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid
PubChem CID155342269
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid
SMILESCOc1ccc(C#N)cc1-c1cc(C)ncc1C(=O)O
InChIInChI=1S/C15H12N2O3/c1-9-5-11(13(8-17-9)15(18)19)12-6-10(7-16)3-4-14(12)20-2/h3-6,8H,1-2H3,(H,18,19)
InChIKeyWDSWBUQXGQQCGT-UHFFFAOYSA-N
XLogP2.64
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-cyano-2-methoxyphenyl)-2,4-dimethylbenzoic acid
CID 107515777
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid
CID 163391109
4-[5-chloro-2-(trideuteriomethoxy)phenyl]-6-methylpyridine-3-carboxylic acid
CID 168984872
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
CID 176833381
4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid
CID 167245834
4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 176833547
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(oxolan-3-ylsulfanyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 176913714
4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176834401
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(3-methylcyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176834363
4-(5-cyano-2-methoxyphenyl)-N-[6-(5-cyclopropyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide
CID 168984906
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-[(1R,2R)-2-methylcyclobutanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176833484
4-(5-cyano-2-methoxyphenyl)-N-(5-cyclobutylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 176832862

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid (CID 155342269) is 4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid is COc1ccc(C#N)cc1-c1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is WDSWBUQXGQQCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9-5-11(13(8-17-9)15(18)19)12-6-10(7-16)3-4-14(12)20-2/h3-6,8H,1-2H3,(H,18,19).
What are the key properties of 4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid?
4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 155342269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).