7-bromo-2-phenyl-1H-1,8-naphthyridin-4-one

C14H9BrN2O — CID 10402581

IUPAC7-bromo-2-phenyl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2nc(Br)ccc12
InChIInChI=1S/C14H9BrN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKeyZVIMMGQTBAKKGA-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.35
Rot. Bonds1

About 7-bromo-2-phenyl-1H-1,8-naphthyridin-4-one

7-bromo-2-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 10402581) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 7-bromo-2-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-bromo-2-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID10402581
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name7-bromo-2-phenyl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2nc(Br)ccc12
InChIInChI=1S/C14H9BrN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKeyZVIMMGQTBAKKGA-UHFFFAOYSA-N
XLogP3.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-bromo-2-phenyl-1H-1,8-naphthyridin-4-one (CID 10402581) is 7-bromo-2-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-bromo-2-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-bromo-2-phenyl-1H-1,8-naphthyridin-4-one is O=c1cc(-c2ccccc2)[nH]c2nc(Br)ccc12.
What is the InChIKey of 7-bromo-2-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is ZVIMMGQTBAKKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18).
What are the key properties of 7-bromo-2-phenyl-1H-1,8-naphthyridin-4-one?
7-bromo-2-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 301.14 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 10402581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).