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

C8H5F3N2O — CID 130091836

IUPAC5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESCc1cncc(C#N)c1OC(F)(F)F
InChIInChI=1S/C8H5F3N2O/c1-5-3-13-4-6(2-12)7(5)14-8(9,10)11/h3-4H,1H3
InChIKeyIXBAFFVCTVRHKS-UHFFFAOYSA-N
MW202.13 g/mol
LogP2.16
Rot. Bonds1

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

5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 130091836) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID130091836
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESCc1cncc(C#N)c1OC(F)(F)F
InChIInChI=1S/C8H5F3N2O/c1-5-3-13-4-6(2-12)7(5)14-8(9,10)11/h3-4H,1H3
InChIKeyIXBAFFVCTVRHKS-UHFFFAOYSA-N
XLogP2.16
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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

2-[5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133095484
6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096082
4,5-dimethoxy-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096110
methyl 3-cyano-5-methyl-4-(trifluoromethoxy)benzoate
CID 134647699
6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119021778
5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624819
5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131614647
5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131463632
5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131600848
4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279573

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile (CID 130091836) is 5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile is Cc1cncc(C#N)c1OC(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is IXBAFFVCTVRHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c1-5-3-13-4-6(2-12)7(5)14-8(9,10)11/h3-4H,1H3.
What are the key properties of 5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile?
5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 202.13 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 130091836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).