3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine

C11H8ClF3N2S — CID 43093048

IUPAC3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2cccs2)c(Cl)c1
InChIInChI=1S/C11H8ClF3N2S/c12-9-4-7(11(13,14)15)5-16-10(9)17-6-8-2-1-3-18-8/h1-5H,6H2,(H,16,17)
InChIKeyVXBRNDFRXJFXCW-UHFFFAOYSA-N
MW292.71 g/mol
LogP4.43
Rot. Bonds3

About 3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 43093048) has the molecular formula C11H8ClF3N2S and a molecular weight of 292.71 g/mol. Its IUPAC name is 3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID43093048
Molecular FormulaC11H8ClF3N2S
Molecular Weight292.71 g/mol
Exact Mass292.00
IUPAC Name3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2cccs2)c(Cl)c1
InChIInChI=1S/C11H8ClF3N2S/c12-9-4-7(11(13,14)15)5-16-10(9)17-6-8-2-1-3-18-8/h1-5H,6H2,(H,16,17)
InChIKeyVXBRNDFRXJFXCW-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 43093048) is 3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCc2cccs2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VXBRNDFRXJFXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2S/c12-9-4-7(11(13,14)15)5-16-10(9)17-6-8-2-1-3-18-8/h1-5H,6H2,(H,16,17).
What are the key properties of 3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 292.71 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 43093048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).