3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine

C12H10ClF3N2S — CID 43397765

IUPAC3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ncc(C(F)(F)F)cc1Cl)c1cccs1
InChIInChI=1S/C12H10ClF3N2S/c1-7(10-3-2-4-19-10)18-11-9(13)5-8(6-17-11)12(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyOMUSHNUOTLOTPJ-UHFFFAOYSA-N
MW306.74 g/mol
LogP4.99
Rot. Bonds3

About 3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 43397765) has the molecular formula C12H10ClF3N2S and a molecular weight of 306.74 g/mol. Its IUPAC name is 3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID43397765
Molecular FormulaC12H10ClF3N2S
Molecular Weight306.74 g/mol
Exact Mass306.02
IUPAC Name3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ncc(C(F)(F)F)cc1Cl)c1cccs1
InChIInChI=1S/C12H10ClF3N2S/c1-7(10-3-2-4-19-10)18-11-9(13)5-8(6-17-11)12(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyOMUSHNUOTLOTPJ-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 43397765) is 3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine is CC(Nc1ncc(C(F)(F)F)cc1Cl)c1cccs1.
What is the InChIKey of 3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OMUSHNUOTLOTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2S/c1-7(10-3-2-4-19-10)18-11-9(13)5-8(6-17-11)12(14,15)16/h2-7H,1H3,(H,17,18).
What are the key properties of 3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 306.74 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 43397765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).