6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one

C9H9BrN2O2 — CID 67154777

IUPAC6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1Nc2ncc(Br)cc2CC1CO
InChIInChI=1S/C9H9BrN2O2/c10-7-2-5-1-6(4-13)9(14)12-8(5)11-3-7/h2-3,6,13H,1,4H2,(H,11,12,14)
InChIKeyLCYCKIXATFRALF-UHFFFAOYSA-N
MW257.09 g/mol
LogP0.95
Rot. Bonds1

About 6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 67154777) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is 6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID67154777
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1Nc2ncc(Br)cc2CC1CO
InChIInChI=1S/C9H9BrN2O2/c10-7-2-5-1-6(4-13)9(14)12-8(5)11-3-7/h2-3,6,13H,1,4H2,(H,11,12,14)
InChIKeyLCYCKIXATFRALF-UHFFFAOYSA-N
XLogP0.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-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 6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 67154777) is 6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1Nc2ncc(Br)cc2CC1CO.
What is the InChIKey of 6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is LCYCKIXATFRALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c10-7-2-5-1-6(4-13)9(14)12-8(5)11-3-7/h2-3,6,13H,1,4H2,(H,11,12,14).
What are the key properties of 6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 257.09 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 67154777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).