8-bromo-1,6-naphthyridine-2-carbonyl chloride

C9H4BrClN2O — CID 58979587

IUPAC8-bromo-1,6-naphthyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C9H4BrClN2O/c10-6-4-12-3-5-1-2-7(9(11)14)13-8(5)6/h1-4H
InChIKeyBOMZZNCLHMADBS-UHFFFAOYSA-N
MW271.50 g/mol
LogP2.77
Rot. Bonds1

About 8-bromo-1,6-naphthyridine-2-carbonyl chloride

8-bromo-1,6-naphthyridine-2-carbonyl chloride (PubChem CID 58979587) has the molecular formula C9H4BrClN2O and a molecular weight of 271.50 g/mol. Its IUPAC name is 8-bromo-1,6-naphthyridine-2-carbonyl chloride.

Molecular Properties

Compound Name8-bromo-1,6-naphthyridine-2-carbonyl chloride
PubChem CID58979587
Molecular FormulaC9H4BrClN2O
Molecular Weight271.50 g/mol
Exact Mass269.92
IUPAC Name8-bromo-1,6-naphthyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C9H4BrClN2O/c10-6-4-12-3-5-1-2-7(9(11)14)13-8(5)6/h1-4H
InChIKeyBOMZZNCLHMADBS-UHFFFAOYSA-N
XLogP2.77
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.50
LogP ≤ 52.77
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 8-bromo-1,6-naphthyridine-2-carbonyl chloride?
The IUPAC name of 8-bromo-1,6-naphthyridine-2-carbonyl chloride (CID 58979587) is 8-bromo-1,6-naphthyridine-2-carbonyl chloride.
What is the SMILES notation for 8-bromo-1,6-naphthyridine-2-carbonyl chloride?
The canonical SMILES for 8-bromo-1,6-naphthyridine-2-carbonyl chloride is O=C(Cl)c1ccc2cncc(Br)c2n1.
What is the InChIKey of 8-bromo-1,6-naphthyridine-2-carbonyl chloride?
The InChIKey is BOMZZNCLHMADBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClN2O/c10-6-4-12-3-5-1-2-7(9(11)14)13-8(5)6/h1-4H.
What are the key properties of 8-bromo-1,6-naphthyridine-2-carbonyl chloride?
8-bromo-1,6-naphthyridine-2-carbonyl chloride has a molecular weight of 271.50 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,6-naphthyridine-2-carbonyl chloride is sourced from PubChem (CID 58979587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).