4-bromo-6-cyanopyridine-2-carbonyl chloride

C7H2BrClN2O — CID 118806122

IUPAC4-bromo-6-cyanopyridine-2-carbonyl chloride
SMILESN#Cc1cc(Br)cc(C(=O)Cl)n1
InChIInChI=1S/C7H2BrClN2O/c8-4-1-5(3-10)11-6(2-4)7(9)12/h1-2H
InChIKeyLAMFTIWWJHWRBE-UHFFFAOYSA-N
MW245.46 g/mol
LogP2.09
Rot. Bonds1

About 4-bromo-6-cyanopyridine-2-carbonyl chloride

4-bromo-6-cyanopyridine-2-carbonyl chloride (PubChem CID 118806122) has the molecular formula C7H2BrClN2O and a molecular weight of 245.46 g/mol. Its IUPAC name is 4-bromo-6-cyanopyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-bromo-6-cyanopyridine-2-carbonyl chloride
PubChem CID118806122
Molecular FormulaC7H2BrClN2O
Molecular Weight245.46 g/mol
Exact Mass243.90
IUPAC Name4-bromo-6-cyanopyridine-2-carbonyl chloride
SMILESN#Cc1cc(Br)cc(C(=O)Cl)n1
InChIInChI=1S/C7H2BrClN2O/c8-4-1-5(3-10)11-6(2-4)7(9)12/h1-2H
InChIKeyLAMFTIWWJHWRBE-UHFFFAOYSA-N
XLogP2.09
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.46
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-cyanopyridine-2-carbonyl chloride?
The IUPAC name of 4-bromo-6-cyanopyridine-2-carbonyl chloride (CID 118806122) is 4-bromo-6-cyanopyridine-2-carbonyl chloride.
What is the SMILES notation for 4-bromo-6-cyanopyridine-2-carbonyl chloride?
The canonical SMILES for 4-bromo-6-cyanopyridine-2-carbonyl chloride is N#Cc1cc(Br)cc(C(=O)Cl)n1.
What is the InChIKey of 4-bromo-6-cyanopyridine-2-carbonyl chloride?
The InChIKey is LAMFTIWWJHWRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClN2O/c8-4-1-5(3-10)11-6(2-4)7(9)12/h1-2H.
What are the key properties of 4-bromo-6-cyanopyridine-2-carbonyl chloride?
4-bromo-6-cyanopyridine-2-carbonyl chloride has a molecular weight of 245.46 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-cyanopyridine-2-carbonyl chloride is sourced from PubChem (CID 118806122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).