4-bromo-3-chloropyridine-2-carbonyl chloride

C6H2BrCl2NO — CID 150388964

IUPAC4-bromo-3-chloropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nccc(Br)c1Cl
InChIInChI=1S/C6H2BrCl2NO/c7-3-1-2-10-5(4(3)8)6(9)11/h1-2H
InChIKeyHBHJMDNYQJDJCK-UHFFFAOYSA-N
MW254.90 g/mol
LogP2.88
Rot. Bonds1

About 4-bromo-3-chloropyridine-2-carbonyl chloride

4-bromo-3-chloropyridine-2-carbonyl chloride (PubChem CID 150388964) has the molecular formula C6H2BrCl2NO and a molecular weight of 254.90 g/mol. Its IUPAC name is 4-bromo-3-chloropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-bromo-3-chloropyridine-2-carbonyl chloride
PubChem CID150388964
Molecular FormulaC6H2BrCl2NO
Molecular Weight254.90 g/mol
Exact Mass252.87
IUPAC Name4-bromo-3-chloropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nccc(Br)c1Cl
InChIInChI=1S/C6H2BrCl2NO/c7-3-1-2-10-5(4(3)8)6(9)11/h1-2H
InChIKeyHBHJMDNYQJDJCK-UHFFFAOYSA-N
XLogP2.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.90
LogP ≤ 52.88
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

3-chloropyrazine-2-carbonyl chloride
CID 15644194
3-bromo-2,6-dichlorobenzoyl chloride
CID 171032868
3-chloropyridine-2-carbonyl chloride
CID 45081497
5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130108425
4-chloro-3-phenylpyridine-2-carbonyl chloride
CID 133097772
3-amino-4-fluoropyridine-2-carbonyl chloride
CID 130807412
3,4-dichloropyridine-2-carboxylic acid;hydrate
CID 141213155
3-chloropyridine-2,4-dicarboxylic acid
CID 134247663
4-bromo-7,8-dichloroquinoline
CID 39346133
(4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone
CID 106761878
3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130097794
3-cyano-4-fluoropyridine-2-carbonyl chloride
CID 131009343

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloropyridine-2-carbonyl chloride?
The IUPAC name of 4-bromo-3-chloropyridine-2-carbonyl chloride (CID 150388964) is 4-bromo-3-chloropyridine-2-carbonyl chloride.
What is the SMILES notation for 4-bromo-3-chloropyridine-2-carbonyl chloride?
The canonical SMILES for 4-bromo-3-chloropyridine-2-carbonyl chloride is O=C(Cl)c1nccc(Br)c1Cl.
What is the InChIKey of 4-bromo-3-chloropyridine-2-carbonyl chloride?
The InChIKey is HBHJMDNYQJDJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2NO/c7-3-1-2-10-5(4(3)8)6(9)11/h1-2H.
What are the key properties of 4-bromo-3-chloropyridine-2-carbonyl chloride?
4-bromo-3-chloropyridine-2-carbonyl chloride has a molecular weight of 254.90 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloropyridine-2-carbonyl chloride is sourced from PubChem (CID 150388964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).