7-bromo-3-chloro-1H-1,5-naphthyridin-4-one

C8H4BrClN2O — CID 102941595

IUPAC7-bromo-3-chloro-1H-1,5-naphthyridin-4-one
SMILESO=c1c(Cl)c[nH]c2cc(Br)cnc12
InChIInChI=1S/C8H4BrClN2O/c9-4-1-6-7(12-2-4)8(13)5(10)3-11-6/h1-3H,(H,11,13)
InChIKeyAAIMSABIMWESLB-UHFFFAOYSA-N
MW259.49 g/mol
LogP2.34
Rot. Bonds

About 7-bromo-3-chloro-1H-1,5-naphthyridin-4-one

7-bromo-3-chloro-1H-1,5-naphthyridin-4-one (PubChem CID 102941595) has the molecular formula C8H4BrClN2O and a molecular weight of 259.49 g/mol. Its IUPAC name is 7-bromo-3-chloro-1H-1,5-naphthyridin-4-one.

Molecular Properties

Compound Name7-bromo-3-chloro-1H-1,5-naphthyridin-4-one
PubChem CID102941595
Molecular FormulaC8H4BrClN2O
Molecular Weight259.49 g/mol
Exact Mass257.92
IUPAC Name7-bromo-3-chloro-1H-1,5-naphthyridin-4-one
SMILESO=c1c(Cl)c[nH]c2cc(Br)cnc12
InChIInChI=1S/C8H4BrClN2O/c9-4-1-6-7(12-2-4)8(13)5(10)3-11-6/h1-3H,(H,11,13)
InChIKeyAAIMSABIMWESLB-UHFFFAOYSA-N
XLogP2.34
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-3-chloro-1H-1,5-naphthyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-chloro-1H-1,5-naphthyridin-4-one?
The IUPAC name of 7-bromo-3-chloro-1H-1,5-naphthyridin-4-one (CID 102941595) is 7-bromo-3-chloro-1H-1,5-naphthyridin-4-one.
What is the SMILES notation for 7-bromo-3-chloro-1H-1,5-naphthyridin-4-one?
The canonical SMILES for 7-bromo-3-chloro-1H-1,5-naphthyridin-4-one is O=c1c(Cl)c[nH]c2cc(Br)cnc12.
What is the InChIKey of 7-bromo-3-chloro-1H-1,5-naphthyridin-4-one?
The InChIKey is AAIMSABIMWESLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O/c9-4-1-6-7(12-2-4)8(13)5(10)3-11-6/h1-3H,(H,11,13).
What are the key properties of 7-bromo-3-chloro-1H-1,5-naphthyridin-4-one?
7-bromo-3-chloro-1H-1,5-naphthyridin-4-one has a molecular weight of 259.49 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-chloro-1H-1,5-naphthyridin-4-one is sourced from PubChem (CID 102941595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).