1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile

C9H10N2O2 — CID 103924554

IUPAC1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cccn(CCCO)c1=O
InChIInChI=1S/C9H10N2O2/c10-7-8-3-1-4-11(9(8)13)5-2-6-12/h1,3-4,12H,2,5-6H2
InChIKeyMSQBJGQINNZIME-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.10
Rot. Bonds3

About 1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile

1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile (PubChem CID 103924554) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
PubChem CID103924554
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cccn(CCCO)c1=O
InChIInChI=1S/C9H10N2O2/c10-7-8-3-1-4-11(9(8)13)5-2-6-12/h1,3-4,12H,2,5-6H2
InChIKeyMSQBJGQINNZIME-UHFFFAOYSA-N
XLogP0.10
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-cyano-2-oxo-1-pyridinyl)acetic acid
CID 21493819
4-[(3-cyano-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 107017483
2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 70438721
1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid
CID 22498647
2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile
CID 102974949
1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile
CID 82115420
2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile
CID 103520095
1-[(3,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 113231573
2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
CID 84682804
1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 103893869
methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate
CID 104859148
1-[2-(oxan-4-yl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile
CID 127886914

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile (CID 103924554) is 1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile is N#Cc1cccn(CCCO)c1=O.
What is the InChIKey of 1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is MSQBJGQINNZIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-7-8-3-1-4-11(9(8)13)5-2-6-12/h1,3-4,12H,2,5-6H2.
What are the key properties of 1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile?
1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 103924554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).