2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine

C12H5Cl2F4N — CID 118847434

IUPAC2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine
SMILESFc1cc(-c2ccc(Cl)cc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C12H5Cl2F4N/c13-6-1-2-7(9(14)3-6)11-4-10(15)8(5-19-11)12(16,17)18/h1-5H
InChIKeyNVAAKIWFJQRIGS-UHFFFAOYSA-N
MW310.08 g/mol
LogP5.21
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine

2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine (PubChem CID 118847434) has the molecular formula C12H5Cl2F4N and a molecular weight of 310.08 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine
PubChem CID118847434
Molecular FormulaC12H5Cl2F4N
Molecular Weight310.08 g/mol
Exact Mass308.97
IUPAC Name2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine
SMILESFc1cc(-c2ccc(Cl)cc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C12H5Cl2F4N/c13-6-1-2-7(9(14)3-6)11-4-10(15)8(5-19-11)12(16,17)18/h1-5H
InChIKeyNVAAKIWFJQRIGS-UHFFFAOYSA-N
XLogP5.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.08
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine (CID 118847434) is 2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine is Fc1cc(-c2ccc(Cl)cc2Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine?
The InChIKey is NVAAKIWFJQRIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2F4N/c13-6-1-2-7(9(14)3-6)11-4-10(15)8(5-19-11)12(16,17)18/h1-5H.
What are the key properties of 2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine?
2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine has a molecular weight of 310.08 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 118847434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).