6-oxo-5H-1,5-naphthyridine-3-carbonitrile

C9H5N3O — CID 68864381

IUPAC6-oxo-5H-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2ccc(=O)[nH]c2c1
InChIInChI=1S/C9H5N3O/c10-4-6-3-8-7(11-5-6)1-2-9(13)12-8/h1-3,5H,(H,12,13)
InChIKeyYDBVAJFYANTZEG-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.79
Rot. Bonds

About 6-oxo-5H-1,5-naphthyridine-3-carbonitrile

6-oxo-5H-1,5-naphthyridine-3-carbonitrile (PubChem CID 68864381) has the molecular formula C9H5N3O and a molecular weight of 171.16 g/mol. Its IUPAC name is 6-oxo-5H-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-oxo-5H-1,5-naphthyridine-3-carbonitrile
PubChem CID68864381
Molecular FormulaC9H5N3O
Molecular Weight171.16 g/mol
Exact Mass171.04
IUPAC Name6-oxo-5H-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2ccc(=O)[nH]c2c1
InChIInChI=1S/C9H5N3O/c10-4-6-3-8-7(11-5-6)1-2-9(13)12-8/h1-3,5H,(H,12,13)
InChIKeyYDBVAJFYANTZEG-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 6-oxo-5H-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 6-oxo-5H-1,5-naphthyridine-3-carbonitrile (CID 68864381) is 6-oxo-5H-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-oxo-5H-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-oxo-5H-1,5-naphthyridine-3-carbonitrile is N#Cc1cnc2ccc(=O)[nH]c2c1.
What is the InChIKey of 6-oxo-5H-1,5-naphthyridine-3-carbonitrile?
The InChIKey is YDBVAJFYANTZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O/c10-4-6-3-8-7(11-5-6)1-2-9(13)12-8/h1-3,5H,(H,12,13).
What are the key properties of 6-oxo-5H-1,5-naphthyridine-3-carbonitrile?
6-oxo-5H-1,5-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 6-oxo-5H-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 68864381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).