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

C12H9ClF3NS — CID 130394984

IUPAC3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine
SMILESCCc1sc(-c2cncc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C12H9ClF3NS/c1-2-10-9(13)4-11(18-10)7-3-8(6-17-5-7)12(14,15)16/h3-6H,2H2,1H3
InChIKeyWMDJVMMXHALNRS-UHFFFAOYSA-N
MW291.73 g/mol
LogP5.04
Rot. Bonds2

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

3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine (PubChem CID 130394984) has the molecular formula C12H9ClF3NS and a molecular weight of 291.73 g/mol. Its IUPAC name is 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine
PubChem CID130394984
Molecular FormulaC12H9ClF3NS
Molecular Weight291.73 g/mol
Exact Mass291.01
IUPAC Name3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine
SMILESCCc1sc(-c2cncc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C12H9ClF3NS/c1-2-10-9(13)4-11(18-10)7-3-8(6-17-5-7)12(14,15)16/h3-6H,2H2,1H3
InChIKeyWMDJVMMXHALNRS-UHFFFAOYSA-N
XLogP5.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.73
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-5-ethylthiophen-2-yl)-5-prop-1-ynylpyridine
CID 118527666
2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
CID 154619154
2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 154868597
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
3-(chloromethyl)-5-[5-(trifluoromethyl)thiophen-2-yl]pyridine
CID 155399033
2-butyl-3-chloro-5-(trifluoromethyl)pyridine
CID 68842183
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine
CID 169477673
4-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 175895572
5-(trifluoromethyl)pyridine-3-thiolate
CID 165348790
3-chloro-5-(1,1-difluoroethyl)pyridine
CID 118107873

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine (CID 130394984) is 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine is CCc1sc(-c2cncc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is WMDJVMMXHALNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NS/c1-2-10-9(13)4-11(18-10)7-3-8(6-17-5-7)12(14,15)16/h3-6H,2H2,1H3.
What are the key properties of 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine?
3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 291.73 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 130394984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).