3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid

C14H10N2O3 — CID 168585684

IUPAC3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid
SMILESCc1cc(-c2cccc(C(=O)O)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C14H10N2O3/c1-8-5-11(12(7-15)13(17)16-8)9-3-2-4-10(6-9)14(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyNXRVAUZAPDVPMN-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.92
Rot. Bonds2

About 3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid

3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid (PubChem CID 168585684) has the molecular formula C14H10N2O3 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid.

Molecular Properties

Compound Name3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid
PubChem CID168585684
Molecular FormulaC14H10N2O3
Molecular Weight254.24 g/mol
Exact Mass254.07
IUPAC Name3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid
SMILESCc1cc(-c2cccc(C(=O)O)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C14H10N2O3/c1-8-5-11(12(7-15)13(17)16-8)9-3-2-4-10(6-9)14(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyNXRVAUZAPDVPMN-UHFFFAOYSA-N
XLogP1.92
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584520
4-[3-(3-hydroxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584648
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid
CID 168586784
4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-iodobenzoic acid
CID 168585426
4-[3-(2-fluorophenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584670
4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585191
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168585220
3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)benzoic acid
CID 169393283
4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585760
4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586115
[5-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenyl]boronic acid
CID 168584762
methyl 3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-5-methylbenzoate
CID 168585814

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid?
The IUPAC name of 3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid (CID 168585684) is 3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid.
What is the SMILES notation for 3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid?
The canonical SMILES for 3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid is Cc1cc(-c2cccc(C(=O)O)c2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid?
The InChIKey is NXRVAUZAPDVPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-8-5-11(12(7-15)13(17)16-8)9-3-2-4-10(6-9)14(18)19/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid?
3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid has a molecular weight of 254.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid is sourced from PubChem (CID 168585684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).