2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid

C15H12N2O4 — CID 82099283

IUPAC2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid
SMILESCOc1ccc(-c2ccc(C#N)c(=O)n2CC(=O)O)cc1
InChIInChI=1S/C15H12N2O4/c1-21-12-5-2-10(3-6-12)13-7-4-11(8-16)15(20)17(13)9-14(18)19/h2-7H,9H2,1H3,(H,18,19)
InChIKeyKWZPFKNGMFZUDN-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.48
Rot. Bonds4

About 2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid

2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 82099283) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid
PubChem CID82099283
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid
SMILESCOc1ccc(-c2ccc(C#N)c(=O)n2CC(=O)O)cc1
InChIInChI=1S/C15H12N2O4/c1-21-12-5-2-10(3-6-12)13-7-4-11(8-16)15(20)17(13)9-14(18)19/h2-7H,9H2,1H3,(H,18,19)
InChIKeyKWZPFKNGMFZUDN-UHFFFAOYSA-N
XLogP1.48
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 2765304
3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099191
propan-2-yl 2-(3-cyano-2-oxo-6-phenyl-1-pyridinyl)acetate
CID 82099014
3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid
CID 91673181
2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide
CID 82099124
3-[1-(2-carboxyethyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
CID 894283
3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099345
1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147126
6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099318
1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 82517769
6-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxylic acid
CID 82099856

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid (CID 82099283) is 2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid is COc1ccc(-c2ccc(C#N)c(=O)n2CC(=O)O)cc1.
What is the InChIKey of 2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is KWZPFKNGMFZUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-21-12-5-2-10(3-6-12)13-7-4-11(8-16)15(20)17(13)9-14(18)19/h2-7H,9H2,1H3,(H,18,19).
What are the key properties of 2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid?
2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 284.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 82099283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).