2-oxo-1H-1,8-naphthyridine-3-carbonitrile

C9H5N3O — CID 11344253

IUPAC2-oxo-1H-1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2cccnc2[nH]c1=O
InChIInChI=1S/C9H5N3O/c10-5-7-4-6-2-1-3-11-8(6)12-9(7)13/h1-4H,(H,11,12,13)
InChIKeyHUWKQMRNPHUGMK-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.79
Rot. Bonds

About 2-oxo-1H-1,8-naphthyridine-3-carbonitrile

2-oxo-1H-1,8-naphthyridine-3-carbonitrile (PubChem CID 11344253) has the molecular formula C9H5N3O and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-oxo-1H-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-1H-1,8-naphthyridine-3-carbonitrile
PubChem CID11344253
Molecular FormulaC9H5N3O
Molecular Weight171.16 g/mol
Exact Mass171.04
IUPAC Name2-oxo-1H-1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2cccnc2[nH]c1=O
InChIInChI=1S/C9H5N3O/c10-5-7-4-6-2-1-3-11-8(6)12-9(7)13/h1-4H,(H,11,12,13)
InChIKeyHUWKQMRNPHUGMK-UHFFFAOYSA-N
XLogP0.79
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 2-oxo-1H-1,8-naphthyridine-3-carbonitrile (CID 11344253) is 2-oxo-1H-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-1H-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-1H-1,8-naphthyridine-3-carbonitrile is N#Cc1cc2cccnc2[nH]c1=O.
What is the InChIKey of 2-oxo-1H-1,8-naphthyridine-3-carbonitrile?
The InChIKey is HUWKQMRNPHUGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O/c10-5-7-4-6-2-1-3-11-8(6)12-9(7)13/h1-4H,(H,11,12,13).
What are the key properties of 2-oxo-1H-1,8-naphthyridine-3-carbonitrile?
2-oxo-1H-1,8-naphthyridine-3-carbonitrile has a molecular weight of 171.16 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 11344253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).