5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

C10H4F5N3 — CID 165344407

IUPAC5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1c(C(F)F)ncc(C#N)c1C(F)(F)F
InChIInChI=1S/C10H4F5N3/c11-9(12)8-6(1-2-16)7(10(13,14)15)5(3-17)4-18-8/h4,9H,1H2
InChIKeySFRGQGVCCUCYMJ-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.98
Rot. Bonds2

About 5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 165344407) has the molecular formula C10H4F5N3 and a molecular weight of 261.15 g/mol. Its IUPAC name is 5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID165344407
Molecular FormulaC10H4F5N3
Molecular Weight261.15 g/mol
Exact Mass261.03
IUPAC Name5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1c(C(F)F)ncc(C#N)c1C(F)(F)F
InChIInChI=1S/C10H4F5N3/c11-9(12)8-6(1-2-16)7(10(13,14)15)5(3-17)4-18-8/h4,9H,1H2
InChIKeySFRGQGVCCUCYMJ-UHFFFAOYSA-N
XLogP2.98
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)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

5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133107081
2-[2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118809433
2-[2-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118814850
2-[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118843000
2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 130081612
2-[4-amino-5-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107143
4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130108825
5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076050
4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 134675025
2-[5-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134671786
6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119010650
2-[5-bromo-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 130068353

Frequently Asked Questions

What is the IUPAC name of 5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 165344407) is 5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile is N#CCc1c(C(F)F)ncc(C#N)c1C(F)(F)F.
What is the InChIKey of 5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is SFRGQGVCCUCYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F5N3/c11-9(12)8-6(1-2-16)7(10(13,14)15)5(3-17)4-18-8/h4,9H,1H2.
What are the key properties of 5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 261.15 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 165344407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).