3-chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine

C11H6Cl2F3NS — CID 19068735

IUPAC3-chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine
SMILESCc1c(Cl)csc1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H6Cl2F3NS/c1-5-8(13)4-18-10(5)9-7(12)2-6(3-17-9)11(14,15)16/h2-4H,1H3
InChIKeyLBLRZSWYLYISGS-UHFFFAOYSA-N
MW312.14 g/mol
LogP5.44
Rot. Bonds1

About 3-chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine

3-chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine (PubChem CID 19068735) has the molecular formula C11H6Cl2F3NS and a molecular weight of 312.14 g/mol. Its IUPAC name is 3-chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine
PubChem CID19068735
Molecular FormulaC11H6Cl2F3NS
Molecular Weight312.14 g/mol
Exact Mass310.96
IUPAC Name3-chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine
SMILESCc1c(Cl)csc1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H6Cl2F3NS/c1-5-8(13)4-18-10(5)9-7(12)2-6(3-17-9)11(14,15)16/h2-4H,1H3
InChIKeyLBLRZSWYLYISGS-UHFFFAOYSA-N
XLogP5.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.14
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine (CID 19068735) is 3-chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine is Cc1c(Cl)csc1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is LBLRZSWYLYISGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3NS/c1-5-8(13)4-18-10(5)9-7(12)2-6(3-17-9)11(14,15)16/h2-4H,1H3.
What are the key properties of 3-chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine?
3-chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 312.14 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 19068735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).