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

C12H7Cl2NO — CID 133097769

IUPAC3-chloro-5-phenylpyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncc(-c2ccccc2)cc1Cl
InChIInChI=1S/C12H7Cl2NO/c13-10-6-9(7-15-11(10)12(14)16)8-4-2-1-3-5-8/h1-7H
InChIKeyRUGZYSIXLNFWKG-UHFFFAOYSA-N
MW252.10 g/mol
LogP3.78
Rot. Bonds2

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

3-chloro-5-phenylpyridine-2-carbonyl chloride (PubChem CID 133097769) has the molecular formula C12H7Cl2NO and a molecular weight of 252.10 g/mol. Its IUPAC name is 3-chloro-5-phenylpyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-chloro-5-phenylpyridine-2-carbonyl chloride
PubChem CID133097769
Molecular FormulaC12H7Cl2NO
Molecular Weight252.10 g/mol
Exact Mass250.99
IUPAC Name3-chloro-5-phenylpyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncc(-c2ccccc2)cc1Cl
InChIInChI=1S/C12H7Cl2NO/c13-10-6-9(7-15-11(10)12(14)16)8-4-2-1-3-5-8/h1-7H
InChIKeyRUGZYSIXLNFWKG-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'}

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Related Compounds

5-chloro-3-phenylpyridine-2-carbonyl chloride
CID 133097755
4-chloro-3-phenylpyridine-2-carbonyl chloride
CID 133097772
1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone
CID 176578359
3-chloropyridine-2-carbonyl chloride
CID 45081497
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate
CID 16681140
6-chloro-5-phenylpyridine-3-carbonyl chloride
CID 133097760
3-amino-5-(4-chlorophenyl)pyridine-2-carboxylic acid
CID 115046366
3-chloro-5-(2-phenylethynyl)pyridine-2-carboxylic acid
CID 123419871
5-chloro-3-phenylquinoline
CID 102190493
2-chloro-4-phenylbenzoic acid
CID 21487426
methyl 4-[3-chloro-5-(3-chlorophenyl)-2-pyridinyl]-4-oxobutanoate
CID 165046778
3-chloro-5-phenyl-2-piperidin-1-ylpyridine
CID 156810422

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-phenylpyridine-2-carbonyl chloride?
The IUPAC name of 3-chloro-5-phenylpyridine-2-carbonyl chloride (CID 133097769) is 3-chloro-5-phenylpyridine-2-carbonyl chloride.
What is the SMILES notation for 3-chloro-5-phenylpyridine-2-carbonyl chloride?
The canonical SMILES for 3-chloro-5-phenylpyridine-2-carbonyl chloride is O=C(Cl)c1ncc(-c2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-5-phenylpyridine-2-carbonyl chloride?
The InChIKey is RUGZYSIXLNFWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO/c13-10-6-9(7-15-11(10)12(14)16)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 3-chloro-5-phenylpyridine-2-carbonyl chloride?
3-chloro-5-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 3-chloro-5-phenylpyridine-2-carbonyl chloride is sourced from PubChem (CID 133097769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).