6-bromo-1,4-dihydroxy-3-methyl-3,4-dihydro-1,8-naphthyridin-2-one

C9H9BrN2O3 — CID 168664445

IUPAC6-bromo-1,4-dihydroxy-3-methyl-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCC1C(=O)N(O)c2ncc(Br)cc2C1O
InChIInChI=1S/C9H9BrN2O3/c1-4-7(13)6-2-5(10)3-11-8(6)12(15)9(4)14/h2-4,7,13,15H,1H3
InChIKeyBCNWTKMZTHVVDL-UHFFFAOYSA-N
MW273.09 g/mol
LogP1.25
Rot. Bonds

About 6-bromo-1,4-dihydroxy-3-methyl-3,4-dihydro-1,8-naphthyridin-2-one

6-bromo-1,4-dihydroxy-3-methyl-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 168664445) has the molecular formula C9H9BrN2O3 and a molecular weight of 273.09 g/mol. Its IUPAC name is 6-bromo-1,4-dihydroxy-3-methyl-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-bromo-1,4-dihydroxy-3-methyl-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID168664445
Molecular FormulaC9H9BrN2O3
Molecular Weight273.09 g/mol
Exact Mass271.98
IUPAC Name6-bromo-1,4-dihydroxy-3-methyl-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCC1C(=O)N(O)c2ncc(Br)cc2C1O
InChIInChI=1S/C9H9BrN2O3/c1-4-7(13)6-2-5(10)3-11-8(6)12(15)9(4)14/h2-4,7,13,15H,1H3
InChIKeyBCNWTKMZTHVVDL-UHFFFAOYSA-N
XLogP1.25
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,4-dihydroxy-3-methyl-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 6-bromo-1,4-dihydroxy-3-methyl-3,4-dihydro-1,8-naphthyridin-2-one (CID 168664445) is 6-bromo-1,4-dihydroxy-3-methyl-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-bromo-1,4-dihydroxy-3-methyl-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 6-bromo-1,4-dihydroxy-3-methyl-3,4-dihydro-1,8-naphthyridin-2-one is CC1C(=O)N(O)c2ncc(Br)cc2C1O.
What is the InChIKey of 6-bromo-1,4-dihydroxy-3-methyl-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is BCNWTKMZTHVVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O3/c1-4-7(13)6-2-5(10)3-11-8(6)12(15)9(4)14/h2-4,7,13,15H,1H3.
What are the key properties of 6-bromo-1,4-dihydroxy-3-methyl-3,4-dihydro-1,8-naphthyridin-2-one?
6-bromo-1,4-dihydroxy-3-methyl-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 273.09 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,4-dihydroxy-3-methyl-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 168664445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).