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

C15H11ClF3N — CID 57468630

IUPAC2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(C3CC3)cc(Cl)n2)cc1
InChIInChI=1S/C15H11ClF3N/c16-14-8-11(9-1-2-9)7-13(20-14)10-3-5-12(6-4-10)15(17,18)19/h3-9H,1-2H2
InChIKeyAYUJGAWIGBIUEJ-UHFFFAOYSA-N
MW297.71 g/mol
LogP5.30
Rot. Bonds2

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

2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 57468630) has the molecular formula C15H11ClF3N and a molecular weight of 297.71 g/mol. Its IUPAC name is 2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID57468630
Molecular FormulaC15H11ClF3N
Molecular Weight297.71 g/mol
Exact Mass297.05
IUPAC Name2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(C3CC3)cc(Cl)n2)cc1
InChIInChI=1S/C15H11ClF3N/c16-14-8-11(9-1-2-9)7-13(20-14)10-3-5-12(6-4-10)15(17,18)19/h3-9H,1-2H2
InChIKeyAYUJGAWIGBIUEJ-UHFFFAOYSA-N
XLogP5.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.71
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine (CID 57468630) is 2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2cc(C3CC3)cc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is AYUJGAWIGBIUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N/c16-14-8-11(9-1-2-9)7-13(20-14)10-3-5-12(6-4-10)15(17,18)19/h3-9H,1-2H2.
What are the key properties of 2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine?
2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 297.71 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 57468630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).