2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyridine

C12H6Cl2F3N — CID 24863803

IUPAC2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(Cl)c(-c2ccccn2)c(Cl)c1
InChIInChI=1S/C12H6Cl2F3N/c13-8-5-7(12(15,16)17)6-9(14)11(8)10-3-1-2-4-18-10/h1-6H
InChIKeySLMQKZQOYWGXCU-UHFFFAOYSA-N
MW292.09 g/mol
LogP5.07
Rot. Bonds1

About 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyridine

2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyridine (PubChem CID 24863803) has the molecular formula C12H6Cl2F3N and a molecular weight of 292.09 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyridine
PubChem CID24863803
Molecular FormulaC12H6Cl2F3N
Molecular Weight292.09 g/mol
Exact Mass290.98
IUPAC Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(Cl)c(-c2ccccn2)c(Cl)c1
InChIInChI=1S/C12H6Cl2F3N/c13-8-5-7(12(15,16)17)6-9(14)11(8)10-3-1-2-4-18-10/h1-6H
InChIKeySLMQKZQOYWGXCU-UHFFFAOYSA-N
XLogP5.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.09
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyridine (CID 24863803) is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cc(Cl)c(-c2ccccn2)c(Cl)c1.
What is the InChIKey of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is SLMQKZQOYWGXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3N/c13-8-5-7(12(15,16)17)6-9(14)11(8)10-3-1-2-4-18-10/h1-6H.
What are the key properties of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyridine?
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 292.09 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 24863803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).