4-(5-chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine

C11H4ClF6NS — CID 134847377

IUPAC4-(5-chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)s2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H4ClF6NS/c12-9-2-1-6(20-9)5-3-7(10(13,14)15)19-8(4-5)11(16,17)18/h1-4H
InChIKeyAHKFOMXWBGEEPI-UHFFFAOYSA-N
MW331.67 g/mol
LogP5.50
Rot. Bonds1

About 4-(5-chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine

4-(5-chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine (PubChem CID 134847377) has the molecular formula C11H4ClF6NS and a molecular weight of 331.67 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine
PubChem CID134847377
Molecular FormulaC11H4ClF6NS
Molecular Weight331.67 g/mol
Exact Mass330.97
IUPAC Name4-(5-chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)s2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H4ClF6NS/c12-9-2-1-6(20-9)5-3-7(10(13,14)15)19-8(4-5)11(16,17)18/h1-4H
InChIKeyAHKFOMXWBGEEPI-UHFFFAOYSA-N
XLogP5.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.67
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine (CID 134847377) is 4-(5-chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine is FC(F)(F)c1cc(-c2ccc(Cl)s2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine?
The InChIKey is AHKFOMXWBGEEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF6NS/c12-9-2-1-6(20-9)5-3-7(10(13,14)15)19-8(4-5)11(16,17)18/h1-4H.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine?
4-(5-chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine has a molecular weight of 331.67 g/mol, XLogP of 5.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 134847377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).