5-bromo-4aH-1,6-naphthyridin-2-one

C8H5BrN2O — CID 73096693

IUPAC5-bromo-4aH-1,6-naphthyridin-2-one
SMILESO=C1C=CC2C(Br)=NC=CC2=N1
InChIInChI=1S/C8H5BrN2O/c9-8-5-1-2-7(12)11-6(5)3-4-10-8/h1-5H
InChIKeyIPHHBOSFUTWWIG-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.46
Rot. Bonds

About 5-bromo-4aH-1,6-naphthyridin-2-one

5-bromo-4aH-1,6-naphthyridin-2-one (PubChem CID 73096693) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 5-bromo-4aH-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5-bromo-4aH-1,6-naphthyridin-2-one
PubChem CID73096693
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name5-bromo-4aH-1,6-naphthyridin-2-one
SMILESO=C1C=CC2C(Br)=NC=CC2=N1
InChIInChI=1S/C8H5BrN2O/c9-8-5-1-2-7(12)11-6(5)3-4-10-8/h1-5H
InChIKeyIPHHBOSFUTWWIG-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4aH-1,6-naphthyridin-2-one?
The IUPAC name of 5-bromo-4aH-1,6-naphthyridin-2-one (CID 73096693) is 5-bromo-4aH-1,6-naphthyridin-2-one.
What is the SMILES notation for 5-bromo-4aH-1,6-naphthyridin-2-one?
The canonical SMILES for 5-bromo-4aH-1,6-naphthyridin-2-one is O=C1C=CC2C(Br)=NC=CC2=N1.
What is the InChIKey of 5-bromo-4aH-1,6-naphthyridin-2-one?
The InChIKey is IPHHBOSFUTWWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-8-5-1-2-7(12)11-6(5)3-4-10-8/h1-5H.
What are the key properties of 5-bromo-4aH-1,6-naphthyridin-2-one?
5-bromo-4aH-1,6-naphthyridin-2-one has a molecular weight of 225.05 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4aH-1,6-naphthyridin-2-one is sourced from PubChem (CID 73096693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).