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

C13H10ClNO3 — CID 163208387

IUPAC2-chloro-3-(2-methyl-6-oxo-1H-pyridin-4-yl)benzoic acid
SMILESCc1cc(-c2cccc(C(=O)O)c2Cl)cc(=O)[nH]1
InChIInChI=1S/C13H10ClNO3/c1-7-5-8(6-11(16)15-7)9-3-2-4-10(12(9)14)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyFUUXHNVWMKJWAS-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.70
Rot. Bonds2

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

2-chloro-3-(2-methyl-6-oxo-1H-pyridin-4-yl)benzoic acid (PubChem CID 163208387) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-chloro-3-(2-methyl-6-oxo-1H-pyridin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-chloro-3-(2-methyl-6-oxo-1H-pyridin-4-yl)benzoic acid
PubChem CID163208387
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name2-chloro-3-(2-methyl-6-oxo-1H-pyridin-4-yl)benzoic acid
SMILESCc1cc(-c2cccc(C(=O)O)c2Cl)cc(=O)[nH]1
InChIInChI=1S/C13H10ClNO3/c1-7-5-8(6-11(16)15-7)9-3-2-4-10(12(9)14)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyFUUXHNVWMKJWAS-UHFFFAOYSA-N
XLogP2.70
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-methyl-6-oxo-1H-pyridin-4-yl)benzoic acid?
The IUPAC name of 2-chloro-3-(2-methyl-6-oxo-1H-pyridin-4-yl)benzoic acid (CID 163208387) is 2-chloro-3-(2-methyl-6-oxo-1H-pyridin-4-yl)benzoic acid.
What is the SMILES notation for 2-chloro-3-(2-methyl-6-oxo-1H-pyridin-4-yl)benzoic acid?
The canonical SMILES for 2-chloro-3-(2-methyl-6-oxo-1H-pyridin-4-yl)benzoic acid is Cc1cc(-c2cccc(C(=O)O)c2Cl)cc(=O)[nH]1.
What is the InChIKey of 2-chloro-3-(2-methyl-6-oxo-1H-pyridin-4-yl)benzoic acid?
The InChIKey is FUUXHNVWMKJWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-7-5-8(6-11(16)15-7)9-3-2-4-10(12(9)14)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-chloro-3-(2-methyl-6-oxo-1H-pyridin-4-yl)benzoic acid?
2-chloro-3-(2-methyl-6-oxo-1H-pyridin-4-yl)benzoic acid has a molecular weight of 263.68 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-methyl-6-oxo-1H-pyridin-4-yl)benzoic acid is sourced from PubChem (CID 163208387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).