5-bromo-1,7-naphthyridine-3-carbonyl chloride

C9H4BrClN2O — CID 137490261

IUPAC5-bromo-1,7-naphthyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cnc2cncc(Br)c2c1
InChIInChI=1S/C9H4BrClN2O/c10-7-3-12-4-8-6(7)1-5(2-13-8)9(11)14/h1-4H
InChIKeyVHYSMKCWPARXBC-UHFFFAOYSA-N
MW271.50 g/mol
LogP2.77
Rot. Bonds1

About 5-bromo-1,7-naphthyridine-3-carbonyl chloride

5-bromo-1,7-naphthyridine-3-carbonyl chloride (PubChem CID 137490261) has the molecular formula C9H4BrClN2O and a molecular weight of 271.50 g/mol. Its IUPAC name is 5-bromo-1,7-naphthyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-bromo-1,7-naphthyridine-3-carbonyl chloride
PubChem CID137490261
Molecular FormulaC9H4BrClN2O
Molecular Weight271.50 g/mol
Exact Mass269.92
IUPAC Name5-bromo-1,7-naphthyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cnc2cncc(Br)c2c1
InChIInChI=1S/C9H4BrClN2O/c10-7-3-12-4-8-6(7)1-5(2-13-8)9(11)14/h1-4H
InChIKeyVHYSMKCWPARXBC-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 5-bromo-1,7-naphthyridine-3-carbonyl chloride?
The IUPAC name of 5-bromo-1,7-naphthyridine-3-carbonyl chloride (CID 137490261) is 5-bromo-1,7-naphthyridine-3-carbonyl chloride.
What is the SMILES notation for 5-bromo-1,7-naphthyridine-3-carbonyl chloride?
The canonical SMILES for 5-bromo-1,7-naphthyridine-3-carbonyl chloride is O=C(Cl)c1cnc2cncc(Br)c2c1.
What is the InChIKey of 5-bromo-1,7-naphthyridine-3-carbonyl chloride?
The InChIKey is VHYSMKCWPARXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClN2O/c10-7-3-12-4-8-6(7)1-5(2-13-8)9(11)14/h1-4H.
What are the key properties of 5-bromo-1,7-naphthyridine-3-carbonyl chloride?
5-bromo-1,7-naphthyridine-3-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 5-bromo-1,7-naphthyridine-3-carbonyl chloride is sourced from PubChem (CID 137490261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).