4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

C9H5N3O2 — CID 138518187

IUPAC4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(O)c2ccncc2[nH]c1=O
InChIInChI=1S/C9H5N3O2/c10-3-6-8(13)5-1-2-11-4-7(5)12-9(6)14/h1-2,4H,(H2,12,13,14)
InChIKeyNPAMRWDIMURYSE-UHFFFAOYSA-N
MW187.16 g/mol
LogP0.50
Rot. Bonds

About 4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 138518187) has the molecular formula C9H5N3O2 and a molecular weight of 187.16 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID138518187
Molecular FormulaC9H5N3O2
Molecular Weight187.16 g/mol
Exact Mass187.04
IUPAC Name4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(O)c2ccncc2[nH]c1=O
InChIInChI=1S/C9H5N3O2/c10-3-6-8(13)5-1-2-11-4-7(5)12-9(6)14/h1-2,4H,(H2,12,13,14)
InChIKeyNPAMRWDIMURYSE-UHFFFAOYSA-N
XLogP0.50
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 138518187) is 4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is N#Cc1c(O)c2ccncc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is NPAMRWDIMURYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O2/c10-3-6-8(13)5-1-2-11-4-7(5)12-9(6)14/h1-2,4H,(H2,12,13,14).
What are the key properties of 4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 187.16 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 138518187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).