2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine

C18H9ClF6N2 — CID 86615441

IUPAC2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)cc(-c3ccnc(Cl)c3)n2)cc1
InChIInChI=1S/C18H9ClF6N2/c19-16-7-11(5-6-26-16)15-9-13(18(23,24)25)8-14(27-15)10-1-3-12(4-2-10)17(20,21)22/h1-9H
InChIKeyJDUVKPWQEGGTEL-UHFFFAOYSA-N
MW402.73 g/mol
LogP6.50
Rot. Bonds2

About 2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine

2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 86615441) has the molecular formula C18H9ClF6N2 and a molecular weight of 402.73 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID86615441
Molecular FormulaC18H9ClF6N2
Molecular Weight402.73 g/mol
Exact Mass402.04
IUPAC Name2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)cc(-c3ccnc(Cl)c3)n2)cc1
InChIInChI=1S/C18H9ClF6N2/c19-16-7-11(5-6-26-16)15-9-13(18(23,24)25)8-14(27-15)10-1-3-12(4-2-10)17(20,21)22/h1-9H
InChIKeyJDUVKPWQEGGTEL-UHFFFAOYSA-N
XLogP6.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.73
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine (CID 86615441) is 2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2cc(C(F)(F)F)cc(-c3ccnc(Cl)c3)n2)cc1.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is JDUVKPWQEGGTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF6N2/c19-16-7-11(5-6-26-16)15-9-13(18(23,24)25)8-14(27-15)10-1-3-12(4-2-10)17(20,21)22/h1-9H.
What are the key properties of 2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 402.73 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 86615441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).