6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine

C13H11F3N2 — CID 102716522

IUPAC6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(-c2cc(C(F)(F)F)cc(N)n2)cc1
InChIInChI=1S/C13H11F3N2/c1-8-2-4-9(5-3-8)11-6-10(13(14,15)16)7-12(17)18-11/h2-7H,1H3,(H2,17,18)
InChIKeyHSFYRYSRYSBCQF-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.66
Rot. Bonds1

About 6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine

6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716522) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716522
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(-c2cc(C(F)(F)F)cc(N)n2)cc1
InChIInChI=1S/C13H11F3N2/c1-8-2-4-9(5-3-8)11-6-10(13(14,15)16)7-12(17)18-11/h2-7H,1H3,(H2,17,18)
InChIKeyHSFYRYSRYSBCQF-UHFFFAOYSA-N
XLogP3.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102716522) is 6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine is Cc1ccc(-c2cc(C(F)(F)F)cc(N)n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HSFYRYSRYSBCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-8-2-4-9(5-3-8)11-6-10(13(14,15)16)7-12(17)18-11/h2-7H,1H3,(H2,17,18).
What are the key properties of 6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine?
6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 252.24 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).