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

C13H8F6N2O — CID 119025158

IUPAC3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(C(F)(F)F)cc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H8F6N2O/c14-12(15,16)7-5-9(11(20)21-6-7)8-3-1-2-4-10(8)22-13(17,18)19/h1-6H,(H2,20,21)
InChIKeyXCMVOAGDDDVRCE-UHFFFAOYSA-N
MW322.21 g/mol
LogP4.25
Rot. Bonds2

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

3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 119025158) has the molecular formula C13H8F6N2O and a molecular weight of 322.21 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID119025158
Molecular FormulaC13H8F6N2O
Molecular Weight322.21 g/mol
Exact Mass322.05
IUPAC Name3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(C(F)(F)F)cc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H8F6N2O/c14-12(15,16)7-5-9(11(20)21-6-7)8-3-1-2-4-10(8)22-13(17,18)19/h1-6H,(H2,20,21)
InChIKeyXCMVOAGDDDVRCE-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

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Related Compounds

2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 133089361
2-methoxy-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134620611
5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine
CID 119015031
2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134621231
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 118813597
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118819339
3-(2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 155555120
1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118809084
[2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118848836
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
CID 134622953

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine (CID 119025158) is 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine is Nc1ncc(C(F)(F)F)cc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XCMVOAGDDDVRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6N2O/c14-12(15,16)7-5-9(11(20)21-6-7)8-3-1-2-4-10(8)22-13(17,18)19/h1-6H,(H2,20,21).
What are the key properties of 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine?
3-[2-(trifluoromethoxy)phenyl]-5-(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 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 119025158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).