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

C7H5ClF3NO — CID 131054252

IUPAC4-(chloromethyl)-2-(difluoromethoxy)-6-fluoropyridine
SMILESFc1cc(CCl)cc(OC(F)F)n1
InChIInChI=1S/C7H5ClF3NO/c8-3-4-1-5(9)12-6(2-4)13-7(10)11/h1-2,7H,3H2
InChIKeyKXXBHJKVIVGHKZ-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.56
Rot. Bonds3

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

4-(chloromethyl)-2-(difluoromethoxy)-6-fluoropyridine (PubChem CID 131054252) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(difluoromethoxy)-6-fluoropyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(difluoromethoxy)-6-fluoropyridine
PubChem CID131054252
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name4-(chloromethyl)-2-(difluoromethoxy)-6-fluoropyridine
SMILESFc1cc(CCl)cc(OC(F)F)n1
InChIInChI=1S/C7H5ClF3NO/c8-3-4-1-5(9)12-6(2-4)13-7(10)11/h1-2,7H,3H2
InChIKeyKXXBHJKVIVGHKZ-UHFFFAOYSA-N
XLogP2.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(difluoromethoxy)-6-fluoropyridine?
The IUPAC name of 4-(chloromethyl)-2-(difluoromethoxy)-6-fluoropyridine (CID 131054252) is 4-(chloromethyl)-2-(difluoromethoxy)-6-fluoropyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(difluoromethoxy)-6-fluoropyridine?
The canonical SMILES for 4-(chloromethyl)-2-(difluoromethoxy)-6-fluoropyridine is Fc1cc(CCl)cc(OC(F)F)n1.
What is the InChIKey of 4-(chloromethyl)-2-(difluoromethoxy)-6-fluoropyridine?
The InChIKey is KXXBHJKVIVGHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-3-4-1-5(9)12-6(2-4)13-7(10)11/h1-2,7H,3H2.
What are the key properties of 4-(chloromethyl)-2-(difluoromethoxy)-6-fluoropyridine?
4-(chloromethyl)-2-(difluoromethoxy)-6-fluoropyridine has a molecular weight of 211.57 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(difluoromethoxy)-6-fluoropyridine is sourced from PubChem (CID 131054252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).