2-chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine

C14H11ClF3NO — CID 87181404

IUPAC2-chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine
SMILESFC(F)(F)c1cccc(CCOc2cccc(Cl)n2)c1
InChIInChI=1S/C14H11ClF3NO/c15-12-5-2-6-13(19-12)20-8-7-10-3-1-4-11(9-10)14(16,17)18/h1-6,9H,7-8H2
InChIKeyMCFJWZCAMPBUAH-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.38
Rot. Bonds4

About 2-chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine

2-chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine (PubChem CID 87181404) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 2-chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine.

Molecular Properties

Compound Name2-chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine
PubChem CID87181404
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name2-chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine
SMILESFC(F)(F)c1cccc(CCOc2cccc(Cl)n2)c1
InChIInChI=1S/C14H11ClF3NO/c15-12-5-2-6-13(19-12)20-8-7-10-3-1-4-11(9-10)14(16,17)18/h1-6,9H,7-8H2
InChIKeyMCFJWZCAMPBUAH-UHFFFAOYSA-N
XLogP4.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.38
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-chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine?
The IUPAC name of 2-chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine (CID 87181404) is 2-chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine.
What is the SMILES notation for 2-chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine?
The canonical SMILES for 2-chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine is FC(F)(F)c1cccc(CCOc2cccc(Cl)n2)c1.
What is the InChIKey of 2-chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine?
The InChIKey is MCFJWZCAMPBUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-12-5-2-6-13(19-12)20-8-7-10-3-1-4-11(9-10)14(16,17)18/h1-6,9H,7-8H2.
What are the key properties of 2-chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine?
2-chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine has a molecular weight of 301.70 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine is sourced from PubChem (CID 87181404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).