4-chloro-6-(difluoromethyl)-2,3-difluoropyridine

C6H2ClF4N — CID 118811179

IUPAC4-chloro-6-(difluoromethyl)-2,3-difluoropyridine
SMILESFc1nc(C(F)F)cc(Cl)c1F
InChIInChI=1S/C6H2ClF4N/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1,5H
InChIKeyFXSQSSGLOXZTNL-UHFFFAOYSA-N
MW199.53 g/mol
LogP2.95
Rot. Bonds1

About 4-chloro-6-(difluoromethyl)-2,3-difluoropyridine

4-chloro-6-(difluoromethyl)-2,3-difluoropyridine (PubChem CID 118811179) has the molecular formula C6H2ClF4N and a molecular weight of 199.53 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)-2,3-difluoropyridine.

Molecular Properties

Compound Name4-chloro-6-(difluoromethyl)-2,3-difluoropyridine
PubChem CID118811179
Molecular FormulaC6H2ClF4N
Molecular Weight199.53 g/mol
Exact Mass198.98
IUPAC Name4-chloro-6-(difluoromethyl)-2,3-difluoropyridine
SMILESFc1nc(C(F)F)cc(Cl)c1F
InChIInChI=1S/C6H2ClF4N/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1,5H
InChIKeyFXSQSSGLOXZTNL-UHFFFAOYSA-N
XLogP2.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.53
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-chloro-6-(difluoromethyl)-2,3-difluoropyridine?
The IUPAC name of 4-chloro-6-(difluoromethyl)-2,3-difluoropyridine (CID 118811179) is 4-chloro-6-(difluoromethyl)-2,3-difluoropyridine.
What is the SMILES notation for 4-chloro-6-(difluoromethyl)-2,3-difluoropyridine?
The canonical SMILES for 4-chloro-6-(difluoromethyl)-2,3-difluoropyridine is Fc1nc(C(F)F)cc(Cl)c1F.
What is the InChIKey of 4-chloro-6-(difluoromethyl)-2,3-difluoropyridine?
The InChIKey is FXSQSSGLOXZTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF4N/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1,5H.
What are the key properties of 4-chloro-6-(difluoromethyl)-2,3-difluoropyridine?
4-chloro-6-(difluoromethyl)-2,3-difluoropyridine has a molecular weight of 199.53 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethyl)-2,3-difluoropyridine is sourced from PubChem (CID 118811179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).