2-chloro-6-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine

C15H21ClF3NO — CID 167095847

IUPAC2-chloro-6-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine
SMILESCC(C)(C)C(C)(C)OCCc1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C15H21ClF3NO/c1-13(2,3)14(4,5)21-7-6-10-8-11(15(17,18)19)20-12(16)9-10/h8-9H,6-7H2,1-5H3
InChIKeyVPUWIVBIZPHTGM-UHFFFAOYSA-N
MW323.79 g/mol
LogP5.14
Rot. Bonds4

About 2-chloro-6-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine

2-chloro-6-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine (PubChem CID 167095847) has the molecular formula C15H21ClF3NO and a molecular weight of 323.79 g/mol. Its IUPAC name is 2-chloro-6-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine
PubChem CID167095847
Molecular FormulaC15H21ClF3NO
Molecular Weight323.79 g/mol
Exact Mass323.13
IUPAC Name2-chloro-6-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine
SMILESCC(C)(C)C(C)(C)OCCc1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C15H21ClF3NO/c1-13(2,3)14(4,5)21-7-6-10-8-11(15(17,18)19)20-12(16)9-10/h8-9H,6-7H2,1-5H3
InChIKeyVPUWIVBIZPHTGM-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.79
LogP ≤ 55.14
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-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine?
The IUPAC name of 2-chloro-6-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine (CID 167095847) is 2-chloro-6-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine.
What is the SMILES notation for 2-chloro-6-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine?
The canonical SMILES for 2-chloro-6-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine is CC(C)(C)C(C)(C)OCCc1cc(Cl)nc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-6-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine?
The InChIKey is VPUWIVBIZPHTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF3NO/c1-13(2,3)14(4,5)21-7-6-10-8-11(15(17,18)19)20-12(16)9-10/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-chloro-6-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine?
2-chloro-6-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine has a molecular weight of 323.79 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(trifluoromethyl)-4-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]pyridine is sourced from PubChem (CID 167095847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).