2-(4-bromophenyl)-1,6-naphthyridine-4-carbonyl chloride

C15H8BrClN2O — CID 90316067

IUPAC2-(4-bromophenyl)-1,6-naphthyridine-4-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccc(Br)cc2)nc2ccncc12
InChIInChI=1S/C15H8BrClN2O/c16-10-3-1-9(2-4-10)14-7-11(15(17)20)12-8-18-6-5-13(12)19-14/h1-8H
InChIKeyYVDGIHHLIIZYPH-UHFFFAOYSA-N
MW347.60 g/mol
LogP4.44
Rot. Bonds2

About 2-(4-bromophenyl)-1,6-naphthyridine-4-carbonyl chloride

2-(4-bromophenyl)-1,6-naphthyridine-4-carbonyl chloride (PubChem CID 90316067) has the molecular formula C15H8BrClN2O and a molecular weight of 347.60 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1,6-naphthyridine-4-carbonyl chloride.

Molecular Properties

Compound Name2-(4-bromophenyl)-1,6-naphthyridine-4-carbonyl chloride
PubChem CID90316067
Molecular FormulaC15H8BrClN2O
Molecular Weight347.60 g/mol
Exact Mass345.95
IUPAC Name2-(4-bromophenyl)-1,6-naphthyridine-4-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccc(Br)cc2)nc2ccncc12
InChIInChI=1S/C15H8BrClN2O/c16-10-3-1-9(2-4-10)14-7-11(15(17)20)12-8-18-6-5-13(12)19-14/h1-8H
InChIKeyYVDGIHHLIIZYPH-UHFFFAOYSA-N
XLogP4.44
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.60
LogP ≤ 54.44
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 2-(4-bromophenyl)-1,6-naphthyridine-4-carbonyl chloride?
The IUPAC name of 2-(4-bromophenyl)-1,6-naphthyridine-4-carbonyl chloride (CID 90316067) is 2-(4-bromophenyl)-1,6-naphthyridine-4-carbonyl chloride.
What is the SMILES notation for 2-(4-bromophenyl)-1,6-naphthyridine-4-carbonyl chloride?
The canonical SMILES for 2-(4-bromophenyl)-1,6-naphthyridine-4-carbonyl chloride is O=C(Cl)c1cc(-c2ccc(Br)cc2)nc2ccncc12.
What is the InChIKey of 2-(4-bromophenyl)-1,6-naphthyridine-4-carbonyl chloride?
The InChIKey is YVDGIHHLIIZYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClN2O/c16-10-3-1-9(2-4-10)14-7-11(15(17)20)12-8-18-6-5-13(12)19-14/h1-8H.
What are the key properties of 2-(4-bromophenyl)-1,6-naphthyridine-4-carbonyl chloride?
2-(4-bromophenyl)-1,6-naphthyridine-4-carbonyl chloride has a molecular weight of 347.60 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1,6-naphthyridine-4-carbonyl chloride is sourced from PubChem (CID 90316067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).