4-chloro-3-phenylpyridine-2-carbonyl chloride

C12H7Cl2NO — CID 133097772

IUPAC4-chloro-3-phenylpyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nccc(Cl)c1-c1ccccc1
InChIInChI=1S/C12H7Cl2NO/c13-9-6-7-15-11(12(14)16)10(9)8-4-2-1-3-5-8/h1-7H
InChIKeyMWQQYPCUNMFTSU-UHFFFAOYSA-N
MW252.10 g/mol
LogP3.78
Rot. Bonds2

About 4-chloro-3-phenylpyridine-2-carbonyl chloride

4-chloro-3-phenylpyridine-2-carbonyl chloride (PubChem CID 133097772) has the molecular formula C12H7Cl2NO and a molecular weight of 252.10 g/mol. Its IUPAC name is 4-chloro-3-phenylpyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-3-phenylpyridine-2-carbonyl chloride
PubChem CID133097772
Molecular FormulaC12H7Cl2NO
Molecular Weight252.10 g/mol
Exact Mass250.99
IUPAC Name4-chloro-3-phenylpyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nccc(Cl)c1-c1ccccc1
InChIInChI=1S/C12H7Cl2NO/c13-9-6-7-15-11(12(14)16)10(9)8-4-2-1-3-5-8/h1-7H
InChIKeyMWQQYPCUNMFTSU-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

4-chloro-2-phenylpyridine-3-carbonyl chloride
CID 118845105
3-chloropyridine-2-carbonyl chloride
CID 45081497
3-chloro-5-phenylpyridine-2-carbonyl chloride
CID 133097769
4-chloro-2-nitro-3-phenylpyridine
CID 118850926
3,4-dichloropyridine-2-carboxylic acid;hydrate
CID 141213155
5-chloro-3-phenylpyridine-2-carbonyl chloride
CID 133097755
5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid
CID 170985444
2-phenylpyridine-4-carbonyl chloride
CID 139270869
4-chloropyridine-2,3-dicarboxylic acid;hydrate
CID 141172424
4-bromo-3-chloropyridine-2-carbonyl chloride
CID 150388964
4-chloropyridine-2,3-dicarboxylic acid;zinc
CID 156700438
3-chloropyrazine-2-carbonyl chloride
CID 15644194

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-phenylpyridine-2-carbonyl chloride?
The IUPAC name of 4-chloro-3-phenylpyridine-2-carbonyl chloride (CID 133097772) is 4-chloro-3-phenylpyridine-2-carbonyl chloride.
What is the SMILES notation for 4-chloro-3-phenylpyridine-2-carbonyl chloride?
The canonical SMILES for 4-chloro-3-phenylpyridine-2-carbonyl chloride is O=C(Cl)c1nccc(Cl)c1-c1ccccc1.
What is the InChIKey of 4-chloro-3-phenylpyridine-2-carbonyl chloride?
The InChIKey is MWQQYPCUNMFTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO/c13-9-6-7-15-11(12(14)16)10(9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-chloro-3-phenylpyridine-2-carbonyl chloride?
4-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 4-chloro-3-phenylpyridine-2-carbonyl chloride is sourced from PubChem (CID 133097772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).