3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile

C13H12N2O2 — CID 168992065

IUPAC3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile
SMILESCc1ccc(C(C)O)c(-c2ccoc2C#N)n1
InChIInChI=1S/C13H12N2O2/c1-8-3-4-10(9(2)16)13(15-8)11-5-6-17-12(11)7-14/h3-6,9,16H,1-2H3
InChIKeyUCYUTDGALIKQME-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.58
Rot. Bonds2

About 3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile

3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile (PubChem CID 168992065) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile
PubChem CID168992065
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile
SMILESCc1ccc(C(C)O)c(-c2ccoc2C#N)n1
InChIInChI=1S/C13H12N2O2/c1-8-3-4-10(9(2)16)13(15-8)11-5-6-17-12(11)7-14/h3-6,9,16H,1-2H3
InChIKeyUCYUTDGALIKQME-UHFFFAOYSA-N
XLogP2.58
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile?
The IUPAC name of 3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile (CID 168992065) is 3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile.
What is the SMILES notation for 3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile?
The canonical SMILES for 3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile is Cc1ccc(C(C)O)c(-c2ccoc2C#N)n1.
What is the InChIKey of 3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile?
The InChIKey is UCYUTDGALIKQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-8-3-4-10(9(2)16)13(15-8)11-5-6-17-12(11)7-14/h3-6,9,16H,1-2H3.
What are the key properties of 3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile?
3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile is sourced from PubChem (CID 168992065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).