1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone

C7H4BrCl2NO — CID 130132409

IUPAC1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone
SMILESO=C(CCl)c1ccc(Br)c(Cl)n1
InChIInChI=1S/C7H4BrCl2NO/c8-4-1-2-5(6(12)3-9)11-7(4)10/h1-2H,3H2
InChIKeyKSYNSILRXYKYSW-UHFFFAOYSA-N
MW268.93 g/mol
LogP2.92
Rot. Bonds2

About 1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone

1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone (PubChem CID 130132409) has the molecular formula C7H4BrCl2NO and a molecular weight of 268.93 g/mol. Its IUPAC name is 1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone
PubChem CID130132409
Molecular FormulaC7H4BrCl2NO
Molecular Weight268.93 g/mol
Exact Mass266.89
IUPAC Name1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone
SMILESO=C(CCl)c1ccc(Br)c(Cl)n1
InChIInChI=1S/C7H4BrCl2NO/c8-4-1-2-5(6(12)3-9)11-7(4)10/h1-2H,3H2
InChIKeyKSYNSILRXYKYSW-UHFFFAOYSA-N
XLogP2.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.93
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone?
The IUPAC name of 1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone (CID 130132409) is 1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone.
What is the SMILES notation for 1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone?
The canonical SMILES for 1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone is O=C(CCl)c1ccc(Br)c(Cl)n1.
What is the InChIKey of 1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone?
The InChIKey is KSYNSILRXYKYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrCl2NO/c8-4-1-2-5(6(12)3-9)11-7(4)10/h1-2H,3H2.
What are the key properties of 1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone?
1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone has a molecular weight of 268.93 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone is sourced from PubChem (CID 130132409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).