4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile

C12H7F3N2O — CID 10538747

IUPAC4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1nc(C(F)(F)F)cc(-c2ccco2)c1C#N
InChIInChI=1S/C12H7F3N2O/c1-7-9(6-16)8(10-3-2-4-18-10)5-11(17-7)12(13,14)15/h2-5H,1H3
InChIKeyRLPDOEMEDSSRBL-UHFFFAOYSA-N
MW252.19 g/mol
LogP3.54
Rot. Bonds1

About 4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile

4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 10538747) has the molecular formula C12H7F3N2O and a molecular weight of 252.19 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID10538747
Molecular FormulaC12H7F3N2O
Molecular Weight252.19 g/mol
Exact Mass252.05
IUPAC Name4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1nc(C(F)(F)F)cc(-c2ccco2)c1C#N
InChIInChI=1S/C12H7F3N2O/c1-7-9(6-16)8(10-3-2-4-18-10)5-11(17-7)12(13,14)15/h2-5H,1H3
InChIKeyRLPDOEMEDSSRBL-UHFFFAOYSA-N
XLogP3.54
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-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

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 10538747) is 4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile is Cc1nc(C(F)(F)F)cc(-c2ccco2)c1C#N.
What is the InChIKey of 4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is RLPDOEMEDSSRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O/c1-7-9(6-16)8(10-3-2-4-18-10)5-11(17-7)12(13,14)15/h2-5H,1H3.
What are the key properties of 4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 252.19 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10538747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).