6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile

C8H6F3N3O — CID 119000736

IUPAC6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESCc1c(N)ncc(C#N)c1OC(F)(F)F
InChIInChI=1S/C8H6F3N3O/c1-4-6(15-8(9,10)11)5(2-12)3-14-7(4)13/h3H,1H3,(H2,13,14)
InChIKeyXTOGJTWYZYCFSO-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.74
Rot. Bonds1

About 6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile

6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 119000736) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID119000736
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESCc1c(N)ncc(C#N)c1OC(F)(F)F
InChIInChI=1S/C8H6F3N3O/c1-4-6(15-8(9,10)11)5(2-12)3-14-7(4)13/h3H,1H3,(H2,13,14)
InChIKeyXTOGJTWYZYCFSO-UHFFFAOYSA-N
XLogP1.74
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-amino-5-methyl-4-(trifluoromethoxy)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

Related Compounds

6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119021778
5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624819
2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118998425
5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 130091836
4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279573
5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131600848
5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096082
2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118996877
2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119020973
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
4,5-dimethoxy-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096110

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile (CID 119000736) is 6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile is Cc1c(N)ncc(C#N)c1OC(F)(F)F.
What is the InChIKey of 6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is XTOGJTWYZYCFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c1-4-6(15-8(9,10)11)5(2-12)3-14-7(4)13/h3H,1H3,(H2,13,14).
What are the key properties of 6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile?
6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 217.15 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 119000736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).