2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid

C15H14ClNO4 — CID 82420521

IUPAC2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid
SMILESCOc1ccc(Cl)cc1-n1cc(CC(=O)O)c(=O)cc1C
InChIInChI=1S/C15H14ClNO4/c1-9-5-13(18)10(6-15(19)20)8-17(9)12-7-11(16)3-4-14(12)21-2/h3-5,7-8H,6H2,1-2H3,(H,19,20)
InChIKeyFQNGHBPUSZJHTJ-UHFFFAOYSA-N
MW307.73 g/mol
LogP2.44
Rot. Bonds4

About 2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid

2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid (PubChem CID 82420521) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid
PubChem CID82420521
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid
SMILESCOc1ccc(Cl)cc1-n1cc(CC(=O)O)c(=O)cc1C
InChIInChI=1S/C15H14ClNO4/c1-9-5-13(18)10(6-15(19)20)8-17(9)12-7-11(16)3-4-14(12)21-2/h3-5,7-8H,6H2,1-2H3,(H,19,20)
InChIKeyFQNGHBPUSZJHTJ-UHFFFAOYSA-N
XLogP2.44
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
CID 82420708
2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid
CID 82305214
3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82420543
1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82422070
1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 94288870
1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbothioamide
CID 82420534
2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid
CID 117380053
1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one
CID 82422073
ethyl 1-(5-chloro-2-methoxyphenyl)aziridine-2-carboxylate
CID 117009999
2-[1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
CID 39379121
2-(5-chloro-2-methoxyphenyl)ethylcarbamic acid
CID 115171089
5-(5-chloro-2-methoxyphenyl)pentanoic acid
CID 93186212

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid?
The IUPAC name of 2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid (CID 82420521) is 2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid is COc1ccc(Cl)cc1-n1cc(CC(=O)O)c(=O)cc1C.
What is the InChIKey of 2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid?
The InChIKey is FQNGHBPUSZJHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-9-5-13(18)10(6-15(19)20)8-17(9)12-7-11(16)3-4-14(12)21-2/h3-5,7-8H,6H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid?
2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid has a molecular weight of 307.73 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid is sourced from PubChem (CID 82420521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).