2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid

C14H13NO3 — CID 82419755

IUPAC2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid
SMILESCc1cc(=O)c(CC(=O)O)cn1-c1ccccc1
InChIInChI=1S/C14H13NO3/c1-10-7-13(16)11(8-14(17)18)9-15(10)12-5-3-2-4-6-12/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyNXXFCGSUAVQCQA-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.77
Rot. Bonds3

About 2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid

2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid (PubChem CID 82419755) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid
PubChem CID82419755
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid
SMILESCc1cc(=O)c(CC(=O)O)cn1-c1ccccc1
InChIInChI=1S/C14H13NO3/c1-10-7-13(16)11(8-14(17)18)9-15(10)12-5-3-2-4-6-12/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyNXXFCGSUAVQCQA-UHFFFAOYSA-N
XLogP1.77
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylaminomethyl)-2-methyl-1-phenylpyridin-4-one
CID 82419741
2-methyl-5-(methylaminomethyl)-1-phenylpyridin-4-one
CID 82419740
5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one
CID 82420995
2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid
CID 82420521
5-(chloromethyl)-1-(4-fluorophenyl)-2-methylpyridin-4-one
CID 82421856
3-[1-(3-chloro-4-fluorophenyl)-6-methyl-4-oxo-3-pyridinyl]propanoic acid
CID 82420476
2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one
CID 82419104
ethyl 5-methyl-1-phenylpyrrole-3-carboxylate
CID 86012716
6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 1489807
1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420920
5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one
CID 82419859
1-(4-hydroxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14027756

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid?
The IUPAC name of 2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid (CID 82419755) is 2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid is Cc1cc(=O)c(CC(=O)O)cn1-c1ccccc1.
What is the InChIKey of 2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid?
The InChIKey is NXXFCGSUAVQCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-7-13(16)11(8-14(17)18)9-15(10)12-5-3-2-4-6-12/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid?
2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid has a molecular weight of 243.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid is sourced from PubChem (CID 82419755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).