1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine

C12H12F3NS — CID 123915508

IUPAC1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine
SMILESCC1=C(C(F)(F)F)C=C(c2cccs2)N(C)C1
InChIInChI=1S/C12H12F3NS/c1-8-7-16(2)10(11-4-3-5-17-11)6-9(8)12(13,14)15/h3-6H,7H2,1-2H3
InChIKeyDJSIWWBJCZJFCC-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.91
Rot. Bonds1

About 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine

1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine (PubChem CID 123915508) has the molecular formula C12H12F3NS and a molecular weight of 259.30 g/mol. Its IUPAC name is 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine
PubChem CID123915508
Molecular FormulaC12H12F3NS
Molecular Weight259.30 g/mol
Exact Mass259.06
IUPAC Name1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine
SMILESCC1=C(C(F)(F)F)C=C(c2cccs2)N(C)C1
InChIInChI=1S/C12H12F3NS/c1-8-7-16(2)10(11-4-3-5-17-11)6-9(8)12(13,14)15/h3-6H,7H2,1-2H3
InChIKeyDJSIWWBJCZJFCC-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine (CID 123915508) is 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine is CC1=C(C(F)(F)F)C=C(c2cccs2)N(C)C1.
What is the InChIKey of 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine?
The InChIKey is DJSIWWBJCZJFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NS/c1-8-7-16(2)10(11-4-3-5-17-11)6-9(8)12(13,14)15/h3-6H,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine?
1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine has a molecular weight of 259.30 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 123915508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).