2-chloro-5-(difluoromethoxy)pyridine

C6H4ClF2NO — CID 50989408

IUPAC2-chloro-5-(difluoromethoxy)pyridine
SMILESFC(F)Oc1ccc(Cl)nc1
InChIInChI=1S/C6H4ClF2NO/c7-5-2-1-4(3-10-5)11-6(8)9/h1-3,6H
InChIKeyGNBOJOIPODQJBW-UHFFFAOYSA-N
MW179.55 g/mol
LogP2.34
Rot. Bonds2

About 2-chloro-5-(difluoromethoxy)pyridine

2-chloro-5-(difluoromethoxy)pyridine (PubChem CID 50989408) has the molecular formula C6H4ClF2NO and a molecular weight of 179.55 g/mol. Its IUPAC name is 2-chloro-5-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-5-(difluoromethoxy)pyridine
PubChem CID50989408
Molecular FormulaC6H4ClF2NO
Molecular Weight179.55 g/mol
Exact Mass178.99
IUPAC Name2-chloro-5-(difluoromethoxy)pyridine
SMILESFC(F)Oc1ccc(Cl)nc1
InChIInChI=1S/C6H4ClF2NO/c7-5-2-1-4(3-10-5)11-6(8)9/h1-3,6H
InChIKeyGNBOJOIPODQJBW-UHFFFAOYSA-N
XLogP2.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.55
LogP ≤ 52.34
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-5-(difluoromethoxy)pyridine?
The IUPAC name of 2-chloro-5-(difluoromethoxy)pyridine (CID 50989408) is 2-chloro-5-(difluoromethoxy)pyridine.
What is the SMILES notation for 2-chloro-5-(difluoromethoxy)pyridine?
The canonical SMILES for 2-chloro-5-(difluoromethoxy)pyridine is FC(F)Oc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(difluoromethoxy)pyridine?
The InChIKey is GNBOJOIPODQJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2NO/c7-5-2-1-4(3-10-5)11-6(8)9/h1-3,6H.
What are the key properties of 2-chloro-5-(difluoromethoxy)pyridine?
2-chloro-5-(difluoromethoxy)pyridine has a molecular weight of 179.55 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(difluoromethoxy)pyridine is sourced from PubChem (CID 50989408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).