3-chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine

C13H13ClF3NS — CID 91291413

IUPAC3-chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine
SMILESCc1cc(Cl)c(C)s1.Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N.C6H7ClS/c1-5-3-2-4-6(11-5)7(8,9)10;1-4-3-6(7)5(2)8-4/h2-4H,1H3;3H,1-2H3
InChIKeyORNGKGOTASWBCM-UHFFFAOYSA-N
MW307.77 g/mol
LogP5.43
Rot. Bonds

About 3-chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine

3-chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine (PubChem CID 91291413) has the molecular formula C13H13ClF3NS and a molecular weight of 307.77 g/mol. Its IUPAC name is 3-chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine
PubChem CID91291413
Molecular FormulaC13H13ClF3NS
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name3-chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine
SMILESCc1cc(Cl)c(C)s1.Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N.C6H7ClS/c1-5-3-2-4-6(11-5)7(8,9)10;1-4-3-6(7)5(2)8-4/h2-4H,1H3;3H,1-2H3
InChIKeyORNGKGOTASWBCM-UHFFFAOYSA-N
XLogP5.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.77
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-(3-Chlorophenylthio)prop-1-ynyl)-6-methylpyridine
CID 11196589
2-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 18763213
5-Chlorothieno[3,2-b]pyridine
CID 12415568
1H-Pyrrole, 1-(4-chlorophenyl)-2-methyl-5-(2-thienyl)-
CID 3021800
4-Chloro-6-methylthieno(3,2-c)pyridine
CID 18691213
7-Chloro-5-methylthieno[3,2-b]pyridine
CID 56587804
2-Thiophen-2-ylsulfanyl-6-(trifluoromethyl)pyridine
CID 172438400
5-Chloro-2-(thiophen-2-yl)pyridine
CID 12841040
2-Methyl-6-(thiophen-2-yl)pyridine
CID 20385913
4-(5-Chlorothiophen-2-yl)-2,6-bis(trifluoromethyl)pyridine
CID 134847377
2-(5-Chloro-2-thienyl)pyridine
CID 14292358
2-(5-Chloro-2-thienyl)-5-methylpyridine
CID 49761803

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine (CID 91291413) is 3-chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine is Cc1cc(Cl)c(C)s1.Cc1cccc(C(F)(F)F)n1.
What is the InChIKey of 3-chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine?
The InChIKey is ORNGKGOTASWBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N.C6H7ClS/c1-5-3-2-4-6(11-5)7(8,9)10;1-4-3-6(7)5(2)8-4/h2-4H,1H3;3H,1-2H3.
What are the key properties of 3-chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine?
3-chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine has a molecular weight of 307.77 g/mol, XLogP of 5.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 91291413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).