3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile

C8H8F3N3 — CID 162544050

IUPAC3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile
SMILESCN1CC(N)=CC(C(F)(F)F)=C1C#N
InChIInChI=1S/C8H8F3N3/c1-14-4-5(13)2-6(7(14)3-12)8(9,10)11/h2H,4,13H2,1H3
InChIKeyCIXAFLVOSLMYPW-UHFFFAOYSA-N
MW203.17 g/mol
LogP1.11
Rot. Bonds

About 3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile

3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile (PubChem CID 162544050) has the molecular formula C8H8F3N3 and a molecular weight of 203.17 g/mol. Its IUPAC name is 3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile
PubChem CID162544050
Molecular FormulaC8H8F3N3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile
SMILESCN1CC(N)=CC(C(F)(F)F)=C1C#N
InChIInChI=1S/C8H8F3N3/c1-14-4-5(13)2-6(7(14)3-12)8(9,10)11/h2H,4,13H2,1H3
InChIKeyCIXAFLVOSLMYPW-UHFFFAOYSA-N
XLogP1.11
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-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-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile?
The IUPAC name of 3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile (CID 162544050) is 3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile.
What is the SMILES notation for 3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile?
The canonical SMILES for 3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile is CN1CC(N)=CC(C(F)(F)F)=C1C#N.
What is the InChIKey of 3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile?
The InChIKey is CIXAFLVOSLMYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3/c1-14-4-5(13)2-6(7(14)3-12)8(9,10)11/h2H,4,13H2,1H3.
What are the key properties of 3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile?
3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile has a molecular weight of 203.17 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile is sourced from PubChem (CID 162544050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).