4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile

C15H14N2O — CID 53236850

IUPAC4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile
SMILESCc1cc(-c2cnccc2C(C)O)ccc1C#N
InChIInChI=1S/C15H14N2O/c1-10-7-12(3-4-13(10)8-16)15-9-17-6-5-14(15)11(2)18/h3-7,9,11,18H,1-2H3
InChIKeyLMBVXEOQMITRIG-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.98
Rot. Bonds2

About 4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile

4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile (PubChem CID 53236850) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile.

Molecular Properties

Compound Name4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile
PubChem CID53236850
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile
SMILESCc1cc(-c2cnccc2C(C)O)ccc1C#N
InChIInChI=1S/C15H14N2O/c1-10-7-12(3-4-13(10)8-16)15-9-17-6-5-14(15)11(2)18/h3-7,9,11,18H,1-2H3
InChIKeyLMBVXEOQMITRIG-UHFFFAOYSA-N
XLogP2.98
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile?
The IUPAC name of 4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile (CID 53236850) is 4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile.
What is the SMILES notation for 4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile?
The canonical SMILES for 4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile is Cc1cc(-c2cnccc2C(C)O)ccc1C#N.
What is the InChIKey of 4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile?
The InChIKey is LMBVXEOQMITRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-7-12(3-4-13(10)8-16)15-9-17-6-5-14(15)11(2)18/h3-7,9,11,18H,1-2H3.
What are the key properties of 4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile?
4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile is sourced from PubChem (CID 53236850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).