2-chloro-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine

C7H4ClF4NO — CID 157023112

IUPAC2-chloro-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine
SMILESFCOc1cc(C(F)(F)F)cnc1Cl
InChIInChI=1S/C7H4ClF4NO/c8-6-5(14-3-9)1-4(2-13-6)7(10,11)12/h1-2H,3H2
InChIKeyWQIGCGNZBZBHKG-UHFFFAOYSA-N
MW229.56 g/mol
LogP3.06
Rot. Bonds2

About 2-chloro-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine

2-chloro-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine (PubChem CID 157023112) has the molecular formula C7H4ClF4NO and a molecular weight of 229.56 g/mol. Its IUPAC name is 2-chloro-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine
PubChem CID157023112
Molecular FormulaC7H4ClF4NO
Molecular Weight229.56 g/mol
Exact Mass228.99
IUPAC Name2-chloro-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine
SMILESFCOc1cc(C(F)(F)F)cnc1Cl
InChIInChI=1S/C7H4ClF4NO/c8-6-5(14-3-9)1-4(2-13-6)7(10,11)12/h1-2H,3H2
InChIKeyWQIGCGNZBZBHKG-UHFFFAOYSA-N
XLogP3.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.56
LogP ≤ 53.06
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-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine (CID 157023112) is 2-chloro-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine is FCOc1cc(C(F)(F)F)cnc1Cl.
What is the InChIKey of 2-chloro-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is WQIGCGNZBZBHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF4NO/c8-6-5(14-3-9)1-4(2-13-6)7(10,11)12/h1-2H,3H2.
What are the key properties of 2-chloro-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine?
2-chloro-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 229.56 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 157023112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).