7-bromo-4aH-1,5-naphthyridin-2-one

C8H5BrN2O — CID 76619277

IUPAC7-bromo-4aH-1,5-naphthyridin-2-one
SMILESO=C1C=CC2N=CC(Br)=CC2=N1
InChIInChI=1S/C8H5BrN2O/c9-5-3-7-6(10-4-5)1-2-8(12)11-7/h1-4,6H
InChIKeyHDCPOXGZDCMDFW-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.26
Rot. Bonds

About 7-bromo-4aH-1,5-naphthyridin-2-one

7-bromo-4aH-1,5-naphthyridin-2-one (PubChem CID 76619277) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 7-bromo-4aH-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-bromo-4aH-1,5-naphthyridin-2-one
PubChem CID76619277
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name7-bromo-4aH-1,5-naphthyridin-2-one
SMILESO=C1C=CC2N=CC(Br)=CC2=N1
InChIInChI=1S/C8H5BrN2O/c9-5-3-7-6(10-4-5)1-2-8(12)11-7/h1-4,6H
InChIKeyHDCPOXGZDCMDFW-UHFFFAOYSA-N
XLogP1.26
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-methyl-7aH-pyrazolo[4,3-b]pyridin-5-one
CID 74675878
4-bromo-4aH-quinolin-2-one
CID 71303285
7-nitro-4aH-quinolin-2-one
CID 74029554
2,3-dimethyl-8aH-pyrido[2,3-b]pyrazin-6-one
CID 75089622
7-bromo-4aH-quinazolin-4-one
CID 71304026
7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one
CID 178188561
3-bromo-3H-pyridazin-6-one
CID 78174474
6-oxo-3H-pyridazine-3-carboxamide
CID 71628596
3-phenyl-3H-pyridazin-6-one
CID 86287397
7-bromo-4-methyl-4aH-quinoline-2-thione
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3-pyridin-4-yl-3H-pyridazin-6-one
CID 24870137

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4aH-1,5-naphthyridin-2-one?
The IUPAC name of 7-bromo-4aH-1,5-naphthyridin-2-one (CID 76619277) is 7-bromo-4aH-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-bromo-4aH-1,5-naphthyridin-2-one?
The canonical SMILES for 7-bromo-4aH-1,5-naphthyridin-2-one is O=C1C=CC2N=CC(Br)=CC2=N1.
What is the InChIKey of 7-bromo-4aH-1,5-naphthyridin-2-one?
The InChIKey is HDCPOXGZDCMDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-5-3-7-6(10-4-5)1-2-8(12)11-7/h1-4,6H.
What are the key properties of 7-bromo-4aH-1,5-naphthyridin-2-one?
7-bromo-4aH-1,5-naphthyridin-2-one has a molecular weight of 225.05 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4aH-1,5-naphthyridin-2-one is sourced from PubChem (CID 76619277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).