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

C13H8F6N2 — CID 119002862

IUPAC3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2cccc(C(F)(F)F)c2)cc1C(F)(F)F
InChIInChI=1S/C13H8F6N2/c14-12(15,16)9-3-1-2-7(4-9)8-5-10(13(17,18)19)11(20)21-6-8/h1-6H,(H2,20,21)
InChIKeyJJGFAVNHTAIRBC-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.37
Rot. Bonds1

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

3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 119002862) has the molecular formula C13H8F6N2 and a molecular weight of 306.21 g/mol. Its IUPAC name is 3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID119002862
Molecular FormulaC13H8F6N2
Molecular Weight306.21 g/mol
Exact Mass306.06
IUPAC Name3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2cccc(C(F)(F)F)c2)cc1C(F)(F)F
InChIInChI=1S/C13H8F6N2/c14-12(15,16)9-3-1-2-7(4-9)8-5-10(13(17,18)19)11(20)21-6-8/h1-6H,(H2,20,21)
InChIKeyJJGFAVNHTAIRBC-UHFFFAOYSA-N
XLogP4.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine (CID 119002862) is 3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine is Nc1ncc(-c2cccc(C(F)(F)F)c2)cc1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is JJGFAVNHTAIRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6N2/c14-12(15,16)9-3-1-2-7(4-9)8-5-10(13(17,18)19)11(20)21-6-8/h1-6H,(H2,20,21).
What are the key properties of 3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 306.21 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 119002862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).