2H-1,6-naphthyridin-3-one

C8H6N2O — CID 68814964

IUPAC2H-1,6-naphthyridin-3-one
SMILESO=C1C=c2cnccc2=NC1
InChIInChI=1S/C8H6N2O/c11-7-3-6-4-9-2-1-8(6)10-5-7/h1-4H,5H2
InChIKeyNWDCYFWGKMQANH-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.94
Rot. Bonds

About 2H-1,6-naphthyridin-3-one

2H-1,6-naphthyridin-3-one (PubChem CID 68814964) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 2H-1,6-naphthyridin-3-one.

Molecular Properties

Compound Name2H-1,6-naphthyridin-3-one
PubChem CID68814964
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name2H-1,6-naphthyridin-3-one
SMILESO=C1C=c2cnccc2=NC1
InChIInChI=1S/C8H6N2O/c11-7-3-6-4-9-2-1-8(6)10-5-7/h1-4H,5H2
InChIKeyNWDCYFWGKMQANH-UHFFFAOYSA-N
XLogP-0.94
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-1,6-naphthyridin-3-one?
The IUPAC name of 2H-1,6-naphthyridin-3-one (CID 68814964) is 2H-1,6-naphthyridin-3-one.
What is the SMILES notation for 2H-1,6-naphthyridin-3-one?
The canonical SMILES for 2H-1,6-naphthyridin-3-one is O=C1C=c2cnccc2=NC1.
What is the InChIKey of 2H-1,6-naphthyridin-3-one?
The InChIKey is NWDCYFWGKMQANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-7-3-6-4-9-2-1-8(6)10-5-7/h1-4H,5H2.
What are the key properties of 2H-1,6-naphthyridin-3-one?
2H-1,6-naphthyridin-3-one has a molecular weight of 146.15 g/mol, XLogP of -0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,6-naphthyridin-3-one is sourced from PubChem (CID 68814964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).