4-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine

C13H11F3N2 — CID 153325933

IUPAC4-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccccc1-c1cc(N)ncc1C(F)(F)F
InChIInChI=1S/C13H11F3N2/c1-8-4-2-3-5-9(8)10-6-12(17)18-7-11(10)13(14,15)16/h2-7H,1H3,(H2,17,18)
InChIKeyFEBWHUOFABUQKH-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.66
Rot. Bonds1

About 4-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine

4-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 153325933) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 4-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID153325933
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name4-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccccc1-c1cc(N)ncc1C(F)(F)F
InChIInChI=1S/C13H11F3N2/c1-8-4-2-3-5-9(8)10-6-12(17)18-7-11(10)13(14,15)16/h2-7H,1H3,(H2,17,18)
InChIKeyFEBWHUOFABUQKH-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 4-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine (CID 153325933) is 4-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine is Cc1ccccc1-c1cc(N)ncc1C(F)(F)F.
What is the InChIKey of 4-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FEBWHUOFABUQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-8-4-2-3-5-9(8)10-6-12(17)18-7-11(10)13(14,15)16/h2-7H,1H3,(H2,17,18).
What are the key properties of 4-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine?
4-(2-methylphenyl)-5-(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 4-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 153325933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).