2-chloro-5-(difluoromethyl)pyridine

C6H4ClF2N — CID 23053241

IUPAC2-chloro-5-(difluoromethyl)pyridine
SMILESFC(F)c1ccc(Cl)nc1
InChIInChI=1S/C6H4ClF2N/c7-5-2-1-4(3-10-5)6(8)9/h1-3,6H
InChIKeyOSQYJPKSEWBNOE-UHFFFAOYSA-N
MW163.55 g/mol
LogP2.67
Rot. Bonds1

About 2-chloro-5-(difluoromethyl)pyridine

2-chloro-5-(difluoromethyl)pyridine (PubChem CID 23053241) has the molecular formula C6H4ClF2N and a molecular weight of 163.55 g/mol. Its IUPAC name is 2-chloro-5-(difluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(difluoromethyl)pyridine
PubChem CID23053241
Molecular FormulaC6H4ClF2N
Molecular Weight163.55 g/mol
Exact Mass163.00
IUPAC Name2-chloro-5-(difluoromethyl)pyridine
SMILESFC(F)c1ccc(Cl)nc1
InChIInChI=1S/C6H4ClF2N/c7-5-2-1-4(3-10-5)6(8)9/h1-3,6H
InChIKeyOSQYJPKSEWBNOE-UHFFFAOYSA-N
XLogP2.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.55
LogP ≤ 52.67
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 2-chloro-5-(difluoromethyl)pyridine?
The IUPAC name of 2-chloro-5-(difluoromethyl)pyridine (CID 23053241) is 2-chloro-5-(difluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-5-(difluoromethyl)pyridine?
The canonical SMILES for 2-chloro-5-(difluoromethyl)pyridine is FC(F)c1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(difluoromethyl)pyridine?
The InChIKey is OSQYJPKSEWBNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2N/c7-5-2-1-4(3-10-5)6(8)9/h1-3,6H.
What are the key properties of 2-chloro-5-(difluoromethyl)pyridine?
2-chloro-5-(difluoromethyl)pyridine has a molecular weight of 163.55 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(difluoromethyl)pyridine is sourced from PubChem (CID 23053241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).