2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine

C11H7ClF3NOS — CID 102715246

IUPAC2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(OCc2cccs2)c1
InChIInChI=1S/C11H7ClF3NOS/c12-9-4-7(11(13,14)15)5-10(16-9)17-6-8-2-1-3-18-8/h1-5H,6H2
InChIKeyZQZYUAJTIDNRPN-UHFFFAOYSA-N
MW293.70 g/mol
LogP4.39
Rot. Bonds3

About 2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine

2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 102715246) has the molecular formula C11H7ClF3NOS and a molecular weight of 293.70 g/mol. Its IUPAC name is 2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine
PubChem CID102715246
Molecular FormulaC11H7ClF3NOS
Molecular Weight293.70 g/mol
Exact Mass292.99
IUPAC Name2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(OCc2cccs2)c1
InChIInChI=1S/C11H7ClF3NOS/c12-9-4-7(11(13,14)15)5-10(16-9)17-6-8-2-1-3-18-8/h1-5H,6H2
InChIKeyZQZYUAJTIDNRPN-UHFFFAOYSA-N
XLogP4.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine (CID 102715246) is 2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)nc(OCc2cccs2)c1.
What is the InChIKey of 2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is ZQZYUAJTIDNRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NOS/c12-9-4-7(11(13,14)15)5-10(16-9)17-6-8-2-1-3-18-8/h1-5H,6H2.
What are the key properties of 2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine?
2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 293.70 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102715246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).