2-chloro-5-(6-oxo-1H-pyridin-2-yl)benzoic acid

C12H8ClNO3 — CID 53218139

IUPAC2-chloro-5-(6-oxo-1H-pyridin-2-yl)benzoic acid
SMILESO=C(O)c1cc(-c2cccc(=O)[nH]2)ccc1Cl
InChIInChI=1S/C12H8ClNO3/c13-9-5-4-7(6-8(9)12(16)17)10-2-1-3-11(15)14-10/h1-6H,(H,14,15)(H,16,17)
InChIKeyLZIQJDRVIDFYNT-UHFFFAOYSA-N
MW249.65 g/mol
LogP2.39
Rot. Bonds2

About 2-chloro-5-(6-oxo-1H-pyridin-2-yl)benzoic acid

2-chloro-5-(6-oxo-1H-pyridin-2-yl)benzoic acid (PubChem CID 53218139) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 2-chloro-5-(6-oxo-1H-pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(6-oxo-1H-pyridin-2-yl)benzoic acid
PubChem CID53218139
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name2-chloro-5-(6-oxo-1H-pyridin-2-yl)benzoic acid
SMILESO=C(O)c1cc(-c2cccc(=O)[nH]2)ccc1Cl
InChIInChI=1S/C12H8ClNO3/c13-9-5-4-7(6-8(9)12(16)17)10-2-1-3-11(15)14-10/h1-6H,(H,14,15)(H,16,17)
InChIKeyLZIQJDRVIDFYNT-UHFFFAOYSA-N
XLogP2.39
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3,4,5-trichlorophenyl)-1H-pyridin-2-one
CID 122200231
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CID 11393662
5-(3-carbamoylphenyl)-2-chlorobenzoic acid
CID 53226144
2-chloro-5-(4-methylphenyl)benzoic acid;ethane
CID 143170543
2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid
CID 79592153
6-[4-(hydroxymethyl)phenyl]-1H-pyridin-2-one
CID 53217580
N-methyl-3-(6-oxo-1H-pyridin-2-yl)benzamide
CID 53217915
2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid
CID 53222416
2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53224258
8-chloro-2-oxo-1H-quinoline-4-carboxylic acid
CID 670543
2-chloro-5-(2,4,6-trimethylphenyl)benzoic acid
CID 54912541
2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid
CID 53225323

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(6-oxo-1H-pyridin-2-yl)benzoic acid?
The IUPAC name of 2-chloro-5-(6-oxo-1H-pyridin-2-yl)benzoic acid (CID 53218139) is 2-chloro-5-(6-oxo-1H-pyridin-2-yl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(6-oxo-1H-pyridin-2-yl)benzoic acid?
The canonical SMILES for 2-chloro-5-(6-oxo-1H-pyridin-2-yl)benzoic acid is O=C(O)c1cc(-c2cccc(=O)[nH]2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(6-oxo-1H-pyridin-2-yl)benzoic acid?
The InChIKey is LZIQJDRVIDFYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-9-5-4-7(6-8(9)12(16)17)10-2-1-3-11(15)14-10/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 2-chloro-5-(6-oxo-1H-pyridin-2-yl)benzoic acid?
2-chloro-5-(6-oxo-1H-pyridin-2-yl)benzoic acid has a molecular weight of 249.65 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(6-oxo-1H-pyridin-2-yl)benzoic acid is sourced from PubChem (CID 53218139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).