3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine

C11H7ClF3NS — CID 155399033

IUPAC3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine
SMILESFC(F)(F)c1ccc(-c2cncc(CCl)c2)s1
InChIInChI=1S/C11H7ClF3NS/c12-4-7-3-8(6-16-5-7)9-1-2-10(17-9)11(13,14)15/h1-3,5-6H,4H2
InChIKeyMWMKQUHGCZQKEP-UHFFFAOYSA-N
MW277.70 g/mol
LogP4.57
Rot. Bonds2

About 3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine

3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine (PubChem CID 155399033) has the molecular formula C11H7ClF3NS and a molecular weight of 277.70 g/mol. Its IUPAC name is 3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine
PubChem CID155399033
Molecular FormulaC11H7ClF3NS
Molecular Weight277.70 g/mol
Exact Mass276.99
IUPAC Name3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine
SMILESFC(F)(F)c1ccc(-c2cncc(CCl)c2)s1
InChIInChI=1S/C11H7ClF3NS/c12-4-7-3-8(6-16-5-7)9-1-2-10(17-9)11(13,14)15/h1-3,5-6H,4H2
InChIKeyMWMKQUHGCZQKEP-UHFFFAOYSA-N
XLogP4.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine?
The IUPAC name of 3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine (CID 155399033) is 3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine.
What is the SMILES notation for 3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine?
The canonical SMILES for 3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine is FC(F)(F)c1ccc(-c2cncc(CCl)c2)s1.
What is the InChIKey of 3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine?
The InChIKey is MWMKQUHGCZQKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NS/c12-4-7-3-8(6-16-5-7)9-1-2-10(17-9)11(13,14)15/h1-3,5-6H,4H2.
What are the key properties of 3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine?
3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine has a molecular weight of 277.70 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine is sourced from PubChem (CID 155399033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).