2-chloro-6-(difluoromethoxy)-4-fluoropyridine

C6H3ClF3NO — CID 131191138

IUPAC2-chloro-6-(difluoromethoxy)-4-fluoropyridine
SMILESFc1cc(Cl)nc(OC(F)F)c1
InChIInChI=1S/C6H3ClF3NO/c7-4-1-3(8)2-5(11-4)12-6(9)10/h1-2,6H
InChIKeyJBVFSXCFZFJGOY-UHFFFAOYSA-N
MW197.54 g/mol
LogP2.48
Rot. Bonds2

About 2-chloro-6-(difluoromethoxy)-4-fluoropyridine

2-chloro-6-(difluoromethoxy)-4-fluoropyridine (PubChem CID 131191138) has the molecular formula C6H3ClF3NO and a molecular weight of 197.54 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethoxy)-4-fluoropyridine.

Molecular Properties

Compound Name2-chloro-6-(difluoromethoxy)-4-fluoropyridine
PubChem CID131191138
Molecular FormulaC6H3ClF3NO
Molecular Weight197.54 g/mol
Exact Mass196.99
IUPAC Name2-chloro-6-(difluoromethoxy)-4-fluoropyridine
SMILESFc1cc(Cl)nc(OC(F)F)c1
InChIInChI=1S/C6H3ClF3NO/c7-4-1-3(8)2-5(11-4)12-6(9)10/h1-2,6H
InChIKeyJBVFSXCFZFJGOY-UHFFFAOYSA-N
XLogP2.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.54
LogP ≤ 52.48
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-(difluoromethoxy)-4-fluoropyridine?
The IUPAC name of 2-chloro-6-(difluoromethoxy)-4-fluoropyridine (CID 131191138) is 2-chloro-6-(difluoromethoxy)-4-fluoropyridine.
What is the SMILES notation for 2-chloro-6-(difluoromethoxy)-4-fluoropyridine?
The canonical SMILES for 2-chloro-6-(difluoromethoxy)-4-fluoropyridine is Fc1cc(Cl)nc(OC(F)F)c1.
What is the InChIKey of 2-chloro-6-(difluoromethoxy)-4-fluoropyridine?
The InChIKey is JBVFSXCFZFJGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO/c7-4-1-3(8)2-5(11-4)12-6(9)10/h1-2,6H.
What are the key properties of 2-chloro-6-(difluoromethoxy)-4-fluoropyridine?
2-chloro-6-(difluoromethoxy)-4-fluoropyridine has a molecular weight of 197.54 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethoxy)-4-fluoropyridine is sourced from PubChem (CID 131191138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).