5-chloro-3-phenylpyridine-2-carbonyl chloride

C12H7Cl2NO — CID 133097755

IUPAC5-chloro-3-phenylpyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncc(Cl)cc1-c1ccccc1
InChIInChI=1S/C12H7Cl2NO/c13-9-6-10(8-4-2-1-3-5-8)11(12(14)16)15-7-9/h1-7H
InChIKeyAZLRNLWNTFMXAZ-UHFFFAOYSA-N
MW252.10 g/mol
LogP3.78
Rot. Bonds2

About 5-chloro-3-phenylpyridine-2-carbonyl chloride

5-chloro-3-phenylpyridine-2-carbonyl chloride (PubChem CID 133097755) has the molecular formula C12H7Cl2NO and a molecular weight of 252.10 g/mol. Its IUPAC name is 5-chloro-3-phenylpyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-chloro-3-phenylpyridine-2-carbonyl chloride
PubChem CID133097755
Molecular FormulaC12H7Cl2NO
Molecular Weight252.10 g/mol
Exact Mass250.99
IUPAC Name5-chloro-3-phenylpyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncc(Cl)cc1-c1ccccc1
InChIInChI=1S/C12H7Cl2NO/c13-9-6-10(8-4-2-1-3-5-8)11(12(14)16)15-7-9/h1-7H
InChIKeyAZLRNLWNTFMXAZ-UHFFFAOYSA-N
XLogP3.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 5-chloro-3-phenylpyridine-2-carbonyl chloride 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

3-chloro-5-phenylpyridine-2-carbonyl chloride
CID 133097769
6-chloro-5-phenylpyridine-3-carbonyl chloride
CID 133097760
5-chloro-N-methyl-3-phenylpyridin-2-amine
CID 71419403
4-chloro-3-phenylpyridine-2-carbonyl chloride
CID 133097772
4-(2-phenylphenyl)benzoyl chloride
CID 141290738
2,5-dichloro-3-phenylbenzoic acid
CID 70699464
4-chloro-2-phenylbenzoic acid
CID 11424784
3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride
CID 87232900
5-chloro-3-phenylsulfanylpyridine-2-carboxamide
CID 172625577
4,5-diphenylpyridine-2,3-dicarboxylic acid
CID 151906058
5-chloro-2-phenylpyridin-3-amine
CID 46311799
6-(4-chlorophenyl)-5-phenylpyridine-3-carboxamide
CID 90957750

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenylpyridine-2-carbonyl chloride?
The IUPAC name of 5-chloro-3-phenylpyridine-2-carbonyl chloride (CID 133097755) is 5-chloro-3-phenylpyridine-2-carbonyl chloride.
What is the SMILES notation for 5-chloro-3-phenylpyridine-2-carbonyl chloride?
The canonical SMILES for 5-chloro-3-phenylpyridine-2-carbonyl chloride is O=C(Cl)c1ncc(Cl)cc1-c1ccccc1.
What is the InChIKey of 5-chloro-3-phenylpyridine-2-carbonyl chloride?
The InChIKey is AZLRNLWNTFMXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO/c13-9-6-10(8-4-2-1-3-5-8)11(12(14)16)15-7-9/h1-7H.
What are the key properties of 5-chloro-3-phenylpyridine-2-carbonyl chloride?
5-chloro-3-phenylpyridine-2-carbonyl chloride has a molecular weight of 252.10 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenylpyridine-2-carbonyl chloride is sourced from PubChem (CID 133097755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).