5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile

C13H9F3N4O — CID 60922508

IUPAC5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)21-11-4-2-1-3-10(11)20-12-8(6-17)5-9(18)7-19-12/h1-5,7H,18H2,(H,19,20)
InChIKeyJBKGDKCQBUMZBI-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.18
Rot. Bonds3

About 5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile

5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile (PubChem CID 60922508) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is 5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
PubChem CID60922508
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)21-11-4-2-1-3-10(11)20-12-8(6-17)5-9(18)7-19-12/h1-5,7H,18H2,(H,19,20)
InChIKeyJBKGDKCQBUMZBI-UHFFFAOYSA-N
XLogP3.18
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-2-[2-(trifluoromethoxy)anilino]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-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile
CID 54938370
5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile
CID 54860710
5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 133086769
4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile
CID 63511232
5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 54860679
5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 63668446
2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133086807
5-amino-2-(2,4-dichloroanilino)pyridine-3-carbonitrile
CID 54938417
3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 114836594
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile
CID 54860696
5-amino-2-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54952819

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile (CID 60922508) is 5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile is N#Cc1cc(N)cnc1Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile?
The InChIKey is JBKGDKCQBUMZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c14-13(15,16)21-11-4-2-1-3-10(11)20-12-8(6-17)5-9(18)7-19-12/h1-5,7H,18H2,(H,19,20).
What are the key properties of 5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile?
5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile has a molecular weight of 294.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile is sourced from PubChem (CID 60922508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).