2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile

C12H15FN2 — CID 59589241

IUPAC2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile
SMILESCC(F)c1ccnc(C(C)(C)C)c1C#N
InChIInChI=1S/C12H15FN2/c1-8(13)9-5-6-15-11(10(9)7-14)12(2,3)4/h5-6,8H,1-4H3
InChIKeyUHIZSVDVCMCDRL-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.28
Rot. Bonds1

About 2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile

2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile (PubChem CID 59589241) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile
PubChem CID59589241
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile
SMILESCC(F)c1ccnc(C(C)(C)C)c1C#N
InChIInChI=1S/C12H15FN2/c1-8(13)9-5-6-15-11(10(9)7-14)12(2,3)4/h5-6,8H,1-4H3
InChIKeyUHIZSVDVCMCDRL-UHFFFAOYSA-N
XLogP3.28
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-4-(1-fluoroethyl)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 2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile (CID 59589241) is 2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile is CC(F)c1ccnc(C(C)(C)C)c1C#N.
What is the InChIKey of 2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile?
The InChIKey is UHIZSVDVCMCDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-8(13)9-5-6-15-11(10(9)7-14)12(2,3)4/h5-6,8H,1-4H3.
What are the key properties of 2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile?
2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile has a molecular weight of 206.26 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 59589241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).