9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile

C9H5N3O2 — CID 15136156

IUPAC9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnc2c(O)cccn2c1=O
InChIInChI=1S/C9H5N3O2/c10-4-6-5-11-8-7(13)2-1-3-12(8)9(6)14/h1-3,5,13H
InChIKeyAOIUOWSBUSUWBB-UHFFFAOYSA-N
MW187.16 g/mol
LogP0.27
Rot. Bonds

About 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile

9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile (PubChem CID 15136156) has the molecular formula C9H5N3O2 and a molecular weight of 187.16 g/mol. Its IUPAC name is 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
PubChem CID15136156
Molecular FormulaC9H5N3O2
Molecular Weight187.16 g/mol
Exact Mass187.04
IUPAC Name9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnc2c(O)cccn2c1=O
InChIInChI=1S/C9H5N3O2/c10-4-6-5-11-8-7(13)2-1-3-12(8)9(6)14/h1-3,5,13H
InChIKeyAOIUOWSBUSUWBB-UHFFFAOYSA-N
XLogP0.27
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
The IUPAC name of 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile (CID 15136156) is 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile is N#Cc1cnc2c(O)cccn2c1=O.
What is the InChIKey of 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
The InChIKey is AOIUOWSBUSUWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O2/c10-4-6-5-11-8-7(13)2-1-3-12(8)9(6)14/h1-3,5,13H.
What are the key properties of 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile has a molecular weight of 187.16 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 15136156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).