3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine

C14H10Cl2F3N — CID 134966661

IUPAC3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(CCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2F3N/c15-11-4-2-1-3-9(11)5-6-13-12(16)7-10(8-20-13)14(17,18)19/h1-4,7-8H,5-6H2
InChIKeyBXLJGOUTNHXZLS-UHFFFAOYSA-N
MW320.14 g/mol
LogP5.19
Rot. Bonds3

About 3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine

3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine (PubChem CID 134966661) has the molecular formula C14H10Cl2F3N and a molecular weight of 320.14 g/mol. Its IUPAC name is 3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine
PubChem CID134966661
Molecular FormulaC14H10Cl2F3N
Molecular Weight320.14 g/mol
Exact Mass319.01
IUPAC Name3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(CCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2F3N/c15-11-4-2-1-3-9(11)5-6-13-12(16)7-10(8-20-13)14(17,18)19/h1-4,7-8H,5-6H2
InChIKeyBXLJGOUTNHXZLS-UHFFFAOYSA-N
XLogP5.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.14
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine (CID 134966661) is 3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(CCc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine?
The InChIKey is BXLJGOUTNHXZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3N/c15-11-4-2-1-3-9(11)5-6-13-12(16)7-10(8-20-13)14(17,18)19/h1-4,7-8H,5-6H2.
What are the key properties of 3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine has a molecular weight of 320.14 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 134966661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).