3-bromo-7-methyl-1,7-naphthyridin-8-one

C9H7BrN2O — CID 170753953

IUPAC3-bromo-7-methyl-1,7-naphthyridin-8-one
SMILESCn1ccc2cc(Br)cnc2c1=O
InChIInChI=1S/C9H7BrN2O/c1-12-3-2-6-4-7(10)5-11-8(6)9(12)13/h2-5H,1H3
InChIKeyGVQDTQSXEDDXCS-UHFFFAOYSA-N
MW239.07 g/mol
LogP1.70
Rot. Bonds

About 3-bromo-7-methyl-1,7-naphthyridin-8-one

3-bromo-7-methyl-1,7-naphthyridin-8-one (PubChem CID 170753953) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 3-bromo-7-methyl-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name3-bromo-7-methyl-1,7-naphthyridin-8-one
PubChem CID170753953
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name3-bromo-7-methyl-1,7-naphthyridin-8-one
SMILESCn1ccc2cc(Br)cnc2c1=O
InChIInChI=1S/C9H7BrN2O/c1-12-3-2-6-4-7(10)5-11-8(6)9(12)13/h2-5H,1H3
InChIKeyGVQDTQSXEDDXCS-UHFFFAOYSA-N
XLogP1.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1,7-Naphthyridin-8-ol
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1-[2-(4-Bromophenyl)-2-oxoethyl]-2,3-dimethylpyridinium bromide
CID 2841483
2-(8-bromo-5-oxo-1,6-naphthyridin-6-yl)-N-(3-methylbutyl)acetamide
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N-3-bromobenzoyl-N'-picolinoyl hydrazine
CID 3651118
5-Bromopyridine-2-carboxamide
CID 735151
3-bromo-1-methyl-1H,6H,7H-pyrrolo(2,3-c)pyridin-7-one
CID 73994664
5-methyl-7H,8H-pyrido[2,3-d]pyridazin-8-one
CID 130251098
N-[3-[(4-bromobenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2988158
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CID 137644837

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methyl-1,7-naphthyridin-8-one?
The IUPAC name of 3-bromo-7-methyl-1,7-naphthyridin-8-one (CID 170753953) is 3-bromo-7-methyl-1,7-naphthyridin-8-one.
What is the SMILES notation for 3-bromo-7-methyl-1,7-naphthyridin-8-one?
The canonical SMILES for 3-bromo-7-methyl-1,7-naphthyridin-8-one is Cn1ccc2cc(Br)cnc2c1=O.
What is the InChIKey of 3-bromo-7-methyl-1,7-naphthyridin-8-one?
The InChIKey is GVQDTQSXEDDXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-12-3-2-6-4-7(10)5-11-8(6)9(12)13/h2-5H,1H3.
What are the key properties of 3-bromo-7-methyl-1,7-naphthyridin-8-one?
3-bromo-7-methyl-1,7-naphthyridin-8-one has a molecular weight of 239.07 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methyl-1,7-naphthyridin-8-one is sourced from PubChem (CID 170753953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).