2H-2,7-naphthyridin-3-one

C8H6N2O — CID 57421635

IUPAC2H-2,7-naphthyridin-3-one
SMILESO=c1cc2ccncc2c[nH]1
InChIInChI=1S/C8H6N2O/c11-8-3-6-1-2-9-4-7(6)5-10-8/h1-5H,(H,10,11)
InChIKeyDGLKRLGQMUWLQS-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.92
Rot. Bonds

About 2H-2,7-naphthyridin-3-one

2H-2,7-naphthyridin-3-one (PubChem CID 57421635) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 2H-2,7-naphthyridin-3-one.

Molecular Properties

Compound Name2H-2,7-naphthyridin-3-one
PubChem CID57421635
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name2H-2,7-naphthyridin-3-one
SMILESO=c1cc2ccncc2c[nH]1
InChIInChI=1S/C8H6N2O/c11-8-3-6-1-2-9-4-7(6)5-10-8/h1-5H,(H,10,11)
InChIKeyDGLKRLGQMUWLQS-UHFFFAOYSA-N
XLogP0.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-2,7-naphthyridin-3-one?
The IUPAC name of 2H-2,7-naphthyridin-3-one (CID 57421635) is 2H-2,7-naphthyridin-3-one.
What is the SMILES notation for 2H-2,7-naphthyridin-3-one?
The canonical SMILES for 2H-2,7-naphthyridin-3-one is O=c1cc2ccncc2c[nH]1.
What is the InChIKey of 2H-2,7-naphthyridin-3-one?
The InChIKey is DGLKRLGQMUWLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-8-3-6-1-2-9-4-7(6)5-10-8/h1-5H,(H,10,11).
What are the key properties of 2H-2,7-naphthyridin-3-one?
2H-2,7-naphthyridin-3-one has a molecular weight of 146.15 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-2,7-naphthyridin-3-one is sourced from PubChem (CID 57421635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).