2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile

C15H14FN3 — CID 61175928

IUPAC2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1ccc(F)c(Nc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C15H14FN3/c1-9-4-5-13(16)14(6-9)19-15-12(8-17)10(2)7-11(3)18-15/h4-7H,1-3H3,(H,18,19)
InChIKeyAWEHGNPOTZDJNH-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.76
Rot. Bonds2

About 2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile

2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 61175928) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID61175928
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1ccc(F)c(Nc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C15H14FN3/c1-9-4-5-13(16)14(6-9)19-15-12(8-17)10(2)7-11(3)18-15/h4-7H,1-3H3,(H,18,19)
InChIKeyAWEHGNPOTZDJNH-UHFFFAOYSA-N
XLogP3.76
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-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-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile (CID 61175928) is 2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile is Cc1ccc(F)c(Nc2nc(C)cc(C)c2C#N)c1.
What is the InChIKey of 2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is AWEHGNPOTZDJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-9-4-5-13(16)14(6-9)19-15-12(8-17)10(2)7-11(3)18-15/h4-7H,1-3H3,(H,18,19).
What are the key properties of 2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 255.30 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 61175928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).