5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid

C14H10ClNO3 — CID 53223105

IUPAC5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid
SMILESCC(=O)c1cccc(-c2cnc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C14H10ClNO3/c1-8(17)9-3-2-4-10(5-9)12-7-16-13(15)6-11(12)14(18)19/h2-7H,1H3,(H,18,19)
InChIKeyJMFBDEQVXONRPP-UHFFFAOYSA-N
MW275.69 g/mol
LogP3.30
Rot. Bonds3

About 5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid

5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid (PubChem CID 53223105) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is 5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid
PubChem CID53223105
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid
SMILESCC(=O)c1cccc(-c2cnc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C14H10ClNO3/c1-8(17)9-3-2-4-10(5-9)12-7-16-13(15)6-11(12)14(18)19/h2-7H,1H3,(H,18,19)
InChIKeyJMFBDEQVXONRPP-UHFFFAOYSA-N
XLogP3.30
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(3-chlorophenyl)pyridine-4-carboxylic acid
CID 53223009
5-(4-carboxy-6-chloro-3-pyridinyl)benzene-1,3-dicarboxylic acid
CID 53224362
2-chloro-5-(4-methylphenyl)pyridine-4-carboxylic acid
CID 53222532
2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid
CID 53223280
4-(3-acetylphenyl)pyridine-3-carboxylic acid
CID 53229293
2-(3-acetylphenyl)benzoic acid
CID 2756265
5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid
CID 53223834
2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid
CID 53223665
3-(3-carboxyphenyl)pyridine-4-carboxylic acid
CID 53223171
2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 53223969
2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid
CID 53223063
2-(3-acetylphenyl)-5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 86679858

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid?
The IUPAC name of 5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid (CID 53223105) is 5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid?
The canonical SMILES for 5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid is CC(=O)c1cccc(-c2cnc(Cl)cc2C(=O)O)c1.
What is the InChIKey of 5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid?
The InChIKey is JMFBDEQVXONRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3/c1-8(17)9-3-2-4-10(5-9)12-7-16-13(15)6-11(12)14(18)19/h2-7H,1H3,(H,18,19).
What are the key properties of 5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid?
5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid has a molecular weight of 275.69 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 53223105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).