3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile

C14H10F3N3O — CID 62895868

IUPAC3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)21-13-6-2-1-5-11(13)20-9-10-4-3-7-19-12(10)8-18/h1-7,20H,9H2
InChIKeyQYOTUACOMKUQHT-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.46
Rot. Bonds4

About 3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile

3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile (PubChem CID 62895868) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile
PubChem CID62895868
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)21-13-6-2-1-5-11(13)20-9-10-4-3-7-19-12(10)8-18/h1-7,20H,9H2
InChIKeyQYOTUACOMKUQHT-UHFFFAOYSA-N
XLogP3.46
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-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

3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile
CID 55128443
3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile
CID 55128109
N-[(2-bromophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29294059
3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile
CID 62895867
3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile
CID 104848705
N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline
CID 63422368
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920098
3-[(4,4,4-trifluorobutylamino)methyl]pyridine-2-carbonitrile
CID 113327330
N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29291752
3-[(4-bromo-2,5-difluoroanilino)methyl]pyridine-2-carbonitrile
CID 107610894
3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 62894169
3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile
CID 106212165

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile (CID 62895868) is 3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CNc1ccccc1OC(F)(F)F.
What is the InChIKey of 3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile?
The InChIKey is QYOTUACOMKUQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)21-13-6-2-1-5-11(13)20-9-10-4-3-7-19-12(10)8-18/h1-7,20H,9H2.
What are the key properties of 3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile?
3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile has a molecular weight of 293.25 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62895868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).