6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid

C12H7Cl2NO2 — CID 24729990

IUPAC6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(Cl)cc(Cl)c2)nc1
InChIInChI=1S/C12H7Cl2NO2/c13-9-3-8(4-10(14)5-9)11-2-1-7(6-15-11)12(16)17/h1-6H,(H,16,17)
InChIKeyGPUUXDZIZHGFQS-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.75
Rot. Bonds2

About 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid

6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid (PubChem CID 24729990) has the molecular formula C12H7Cl2NO2 and a molecular weight of 268.10 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
PubChem CID24729990
Molecular FormulaC12H7Cl2NO2
Molecular Weight268.10 g/mol
Exact Mass266.99
IUPAC Name6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(Cl)cc(Cl)c2)nc1
InChIInChI=1S/C12H7Cl2NO2/c13-9-3-8(4-10(14)5-9)11-2-1-7(6-15-11)12(16)17/h1-6H,(H,16,17)
InChIKeyGPUUXDZIZHGFQS-UHFFFAOYSA-N
XLogP3.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-chlorophenyl)pyridine-3-carboxylic acid
CID 24729969
6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223511
1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone
CID 175646991
6-[5-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-5-[6-(5-carboxy-2-pyridinyl)-3-pyridinyl]phenyl]-2-pyridinyl]pyridine-3-carboxylic acid
CID 155051677
6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 22730186
3-amino-5-(5-chloro-2-pyridinyl)benzoic acid
CID 143600435
6-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 52984088
6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 131619918
bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt
CID 176549318
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675
6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid
CID 59153724
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid (CID 24729990) is 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2cc(Cl)cc(Cl)c2)nc1.
What is the InChIKey of 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid?
The InChIKey is GPUUXDZIZHGFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO2/c13-9-3-8(4-10(14)5-9)11-2-1-7(6-15-11)12(16)17/h1-6H,(H,16,17).
What are the key properties of 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid?
6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid has a molecular weight of 268.10 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 24729990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).