2-phenylpyridine-4-carbonyl chloride

C12H8ClNO — CID 139270869

IUPAC2-phenylpyridine-4-carbonyl chloride
SMILESO=C(Cl)c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C12H8ClNO/c13-12(15)10-6-7-14-11(8-10)9-4-2-1-3-5-9/h1-8H
InChIKeyQUKVDFCAGZRXNG-UHFFFAOYSA-N
MW217.66 g/mol
LogP3.13
Rot. Bonds2

About 2-phenylpyridine-4-carbonyl chloride

2-phenylpyridine-4-carbonyl chloride (PubChem CID 139270869) has the molecular formula C12H8ClNO and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-phenylpyridine-4-carbonyl chloride.

Molecular Properties

Compound Name2-phenylpyridine-4-carbonyl chloride
PubChem CID139270869
Molecular FormulaC12H8ClNO
Molecular Weight217.66 g/mol
Exact Mass217.03
IUPAC Name2-phenylpyridine-4-carbonyl chloride
SMILESO=C(Cl)c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C12H8ClNO/c13-12(15)10-6-7-14-11(8-10)9-4-2-1-3-5-9/h1-8H
InChIKeyQUKVDFCAGZRXNG-UHFFFAOYSA-N
XLogP3.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 53.13
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

1-(2-phenyl-4-pyridinyl)butan-1-one
CID 44538893
4-carbonochloridoylpyridine-2-carboxylic acid
CID 156640763
3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride
CID 12023926
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
benzoyl chloride;selane
CID 174449470
4-(1-ethoxyethenyl)-2-phenylpyridine
CID 141200949
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
benzoyl chloride;hydrazine
CID 19933227
2-ethylpyridine-4-carbonyl chloride
CID 45081393
dimethyl-phenyl-(2-phenyl-4-pyridinyl)germane
CID 140726208

Frequently Asked Questions

What is the IUPAC name of 2-phenylpyridine-4-carbonyl chloride?
The IUPAC name of 2-phenylpyridine-4-carbonyl chloride (CID 139270869) is 2-phenylpyridine-4-carbonyl chloride.
What is the SMILES notation for 2-phenylpyridine-4-carbonyl chloride?
The canonical SMILES for 2-phenylpyridine-4-carbonyl chloride is O=C(Cl)c1ccnc(-c2ccccc2)c1.
What is the InChIKey of 2-phenylpyridine-4-carbonyl chloride?
The InChIKey is QUKVDFCAGZRXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO/c13-12(15)10-6-7-14-11(8-10)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-phenylpyridine-4-carbonyl chloride?
2-phenylpyridine-4-carbonyl chloride has a molecular weight of 217.66 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpyridine-4-carbonyl chloride is sourced from PubChem (CID 139270869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).