4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine

C13H10ClF3N2 — CID 70663252

IUPAC4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine
SMILESFC(F)(F)CNc1cnccc1-c1ccccc1Cl
InChIInChI=1S/C13H10ClF3N2/c14-11-4-2-1-3-9(11)10-5-6-18-7-12(10)19-8-13(15,16)17/h1-7,19H,8H2
InChIKeyIHQGFIUBSYWGCG-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.38
Rot. Bonds3

About 4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine

4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine (PubChem CID 70663252) has the molecular formula C13H10ClF3N2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine
PubChem CID70663252
Molecular FormulaC13H10ClF3N2
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC Name4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine
SMILESFC(F)(F)CNc1cnccc1-c1ccccc1Cl
InChIInChI=1S/C13H10ClF3N2/c14-11-4-2-1-3-9(11)10-5-6-18-7-12(10)19-8-13(15,16)17/h1-7,19H,8H2
InChIKeyIHQGFIUBSYWGCG-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine?
The IUPAC name of 4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine (CID 70663252) is 4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine?
The canonical SMILES for 4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine is FC(F)(F)CNc1cnccc1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine?
The InChIKey is IHQGFIUBSYWGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2/c14-11-4-2-1-3-9(11)10-5-6-18-7-12(10)19-8-13(15,16)17/h1-7,19H,8H2.
What are the key properties of 4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine?
4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine has a molecular weight of 286.68 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine is sourced from PubChem (CID 70663252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).