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

C12H10ClF3N2S — CID 29043401

IUPAC3-chloro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCCc2cccs2)c(Cl)c1
InChIInChI=1S/C12H10ClF3N2S/c13-10-6-8(12(14,15)16)7-18-11(10)17-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4H2,(H,17,18)
InChIKeyYTWNGCFCILCQAT-UHFFFAOYSA-N
MW306.74 g/mol
LogP4.47
Rot. Bonds4

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

3-chloro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 29043401) has the molecular formula C12H10ClF3N2S and a molecular weight of 306.74 g/mol. Its IUPAC name is 3-chloro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID29043401
Molecular FormulaC12H10ClF3N2S
Molecular Weight306.74 g/mol
Exact Mass306.02
IUPAC Name3-chloro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCCc2cccs2)c(Cl)c1
InChIInChI=1S/C12H10ClF3N2S/c13-10-6-8(12(14,15)16)7-18-11(10)17-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4H2,(H,17,18)
InChIKeyYTWNGCFCILCQAT-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 29043401) is 3-chloro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCCc2cccs2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YTWNGCFCILCQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2S/c13-10-6-8(12(14,15)16)7-18-11(10)17-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4H2,(H,17,18).
What are the key properties of 3-chloro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 306.74 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 29043401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).