2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile

C9H4F3N3O — CID 133095482

IUPAC2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#CCc1nccc(OC(F)(F)F)c1C#N
InChIInChI=1S/C9H4F3N3O/c10-9(11,12)16-8-2-4-15-7(1-3-13)6(8)5-14/h2,4H,1H2
InChIKeyZJDARGUSUMVWOP-UHFFFAOYSA-N
MW227.14 g/mol
LogP1.92
Rot. Bonds2

About 2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile

2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 133095482) has the molecular formula C9H4F3N3O and a molecular weight of 227.14 g/mol. Its IUPAC name is 2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID133095482
Molecular FormulaC9H4F3N3O
Molecular Weight227.14 g/mol
Exact Mass227.03
IUPAC Name2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#CCc1nccc(OC(F)(F)F)c1C#N
InChIInChI=1S/C9H4F3N3O/c10-9(11,12)16-8-2-4-15-7(1-3-13)6(8)5-14/h2,4H,1H2
InChIKeyZJDARGUSUMVWOP-UHFFFAOYSA-N
XLogP1.92
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(cyanomethyl)-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-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 130046963
2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095823
3-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide
CID 133095483
2-[2-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094960
6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118994523
2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 133094891
2-[4-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134659116
2-[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 130092527
2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118836746
2-[3-(bromomethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134681279
2-[6-iodo-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667886
2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134658688

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile (CID 133095482) is 2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile is N#CCc1nccc(OC(F)(F)F)c1C#N.
What is the InChIKey of 2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is ZJDARGUSUMVWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N3O/c10-9(11,12)16-8-2-4-15-7(1-3-13)6(8)5-14/h2,4H,1H2.
What are the key properties of 2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile?
2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 227.14 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 133095482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).