5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine

C13H8F6N2O — CID 119015031

IUPAC5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2ccccc2OC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C13H8F6N2O/c14-12(15,16)9-5-7(6-21-11(9)20)8-3-1-2-4-10(8)22-13(17,18)19/h1-6H,(H2,20,21)
InChIKeyHQUWVQCSKSWALI-UHFFFAOYSA-N
MW322.21 g/mol
LogP4.25
Rot. Bonds2

About 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine

5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 119015031) has the molecular formula C13H8F6N2O and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID119015031
Molecular FormulaC13H8F6N2O
Molecular Weight322.21 g/mol
Exact Mass322.05
IUPAC Name5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2ccccc2OC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C13H8F6N2O/c14-12(15,16)9-5-7(6-21-11(9)20)8-3-1-2-4-10(8)22-13(17,18)19/h1-6H,(H2,20,21)
InChIKeyHQUWVQCSKSWALI-UHFFFAOYSA-N
XLogP4.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine 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-(2-methoxyphenyl)-3-(trifluoromethyl)pyridin-2-amine
CID 139370325
4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 118805901
3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 119025158
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134626259
[3,5-bis[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 134623328
3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134625989
6-[2-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 134617611
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 131871409
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 133091706
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine (CID 119015031) is 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2ccccc2OC(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HQUWVQCSKSWALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6N2O/c14-12(15,16)9-5-7(6-21-11(9)20)8-3-1-2-4-10(8)22-13(17,18)19/h1-6H,(H2,20,21).
What are the key properties of 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine?
5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 322.21 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 119015031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).