4-(1-hydroxypropyl)pyridine-2-carbonitrile

C9H10N2O — CID 170592928

IUPAC4-(1-hydroxypropyl)pyridine-2-carbonitrile
SMILESCCC(O)c1ccnc(C#N)c1
InChIInChI=1S/C9H10N2O/c1-2-9(12)7-3-4-11-8(5-7)6-10/h3-5,9,12H,2H2,1H3
InChIKeyBCXYRVAAPSBERZ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.40
Rot. Bonds2

About 4-(1-hydroxypropyl)pyridine-2-carbonitrile

4-(1-hydroxypropyl)pyridine-2-carbonitrile (PubChem CID 170592928) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-(1-hydroxypropyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(1-hydroxypropyl)pyridine-2-carbonitrile
PubChem CID170592928
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-(1-hydroxypropyl)pyridine-2-carbonitrile
SMILESCCC(O)c1ccnc(C#N)c1
InChIInChI=1S/C9H10N2O/c1-2-9(12)7-3-4-11-8(5-7)6-10/h3-5,9,12H,2H2,1H3
InChIKeyBCXYRVAAPSBERZ-UHFFFAOYSA-N
XLogP1.40
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-hydroxypropyl)pyridine-2-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-(2-cyano-4-pyridinyl)propanoic acid
CID 22939335
2-(2-cyano-4-pyridinyl)propanamide
CID 166846712
N-[4-(2-cyano-4-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882726
3-[(1R)-1-hydroxypropyl]benzonitrile
CID 71419733
4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile
CID 106230805
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile
CID 107664726
4-[[3-(1-hydroxybutyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile
CID 79108225
4-[ethyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 62924784
ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate
CID 62925360
4-(butan-2-ylsulfonylmethyl)pyridine-2-carbonitrile
CID 64690171
4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile
CID 64596884

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypropyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(1-hydroxypropyl)pyridine-2-carbonitrile (CID 170592928) is 4-(1-hydroxypropyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(1-hydroxypropyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(1-hydroxypropyl)pyridine-2-carbonitrile is CCC(O)c1ccnc(C#N)c1.
What is the InChIKey of 4-(1-hydroxypropyl)pyridine-2-carbonitrile?
The InChIKey is BCXYRVAAPSBERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-9(12)7-3-4-11-8(5-7)6-10/h3-5,9,12H,2H2,1H3.
What are the key properties of 4-(1-hydroxypropyl)pyridine-2-carbonitrile?
4-(1-hydroxypropyl)pyridine-2-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypropyl)pyridine-2-carbonitrile is sourced from PubChem (CID 170592928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).