6-chloro-5-phenylpyridine-3-carbonyl chloride

C12H7Cl2NO — CID 133097760

IUPAC6-chloro-5-phenylpyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cnc(Cl)c(-c2ccccc2)c1
InChIInChI=1S/C12H7Cl2NO/c13-11-10(8-4-2-1-3-5-8)6-9(7-15-11)12(14)16/h1-7H
InChIKeyXWYMDTMPXYXZIO-UHFFFAOYSA-N
MW252.10 g/mol
LogP3.78
Rot. Bonds2

About 6-chloro-5-phenylpyridine-3-carbonyl chloride

6-chloro-5-phenylpyridine-3-carbonyl chloride (PubChem CID 133097760) has the molecular formula C12H7Cl2NO and a molecular weight of 252.10 g/mol. Its IUPAC name is 6-chloro-5-phenylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-chloro-5-phenylpyridine-3-carbonyl chloride
PubChem CID133097760
Molecular FormulaC12H7Cl2NO
Molecular Weight252.10 g/mol
Exact Mass250.99
IUPAC Name6-chloro-5-phenylpyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cnc(Cl)c(-c2ccccc2)c1
InChIInChI=1S/C12H7Cl2NO/c13-11-10(8-4-2-1-3-5-8)6-9(7-15-11)12(14)16/h1-7H
InChIKeyXWYMDTMPXYXZIO-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 46313827
3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride
CID 87232900
4-(2-phenylphenyl)benzoyl chloride
CID 141290738
5-chloro-3-phenylpyridine-2-carbonyl chloride
CID 133097755
1,10-phenanthroline-3,8-dicarbonyl chloride
CID 59027322
6-(4-chlorophenyl)-5-phenylpyridine-3-carboxamide
CID 90957750
methyl 6-methoxy-5-phenylpyridine-3-carboxylate
CID 86104556
3-amino-4-phenylbenzoyl chloride
CID 162734876
2-phenylpyridine-4-carbonyl chloride
CID 139270869
6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134631035
6-methoxy-5-phenylpyridine-3-carboxylic acid
CID 46315030
3-chloro-5-phenylpyridine-2-carbonyl chloride
CID 133097769

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-phenylpyridine-3-carbonyl chloride?
The IUPAC name of 6-chloro-5-phenylpyridine-3-carbonyl chloride (CID 133097760) is 6-chloro-5-phenylpyridine-3-carbonyl chloride.
What is the SMILES notation for 6-chloro-5-phenylpyridine-3-carbonyl chloride?
The canonical SMILES for 6-chloro-5-phenylpyridine-3-carbonyl chloride is O=C(Cl)c1cnc(Cl)c(-c2ccccc2)c1.
What is the InChIKey of 6-chloro-5-phenylpyridine-3-carbonyl chloride?
The InChIKey is XWYMDTMPXYXZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO/c13-11-10(8-4-2-1-3-5-8)6-9(7-15-11)12(14)16/h1-7H.
What are the key properties of 6-chloro-5-phenylpyridine-3-carbonyl chloride?
6-chloro-5-phenylpyridine-3-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 6-chloro-5-phenylpyridine-3-carbonyl chloride is sourced from PubChem (CID 133097760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).