6-chloro-2-fluoro-3-(fluoromethyl)pyridine

C6H4ClF2N — CID 171372934

IUPAC6-chloro-2-fluoro-3-(fluoromethyl)pyridine
SMILESFCc1ccc(Cl)nc1F
InChIInChI=1S/C6H4ClF2N/c7-5-2-1-4(3-8)6(9)10-5/h1-2H,3H2
InChIKeyMVRJIJMXKIZJFD-UHFFFAOYSA-N
MW163.55 g/mol
LogP2.34
Rot. Bonds1

About 6-chloro-2-fluoro-3-(fluoromethyl)pyridine

6-chloro-2-fluoro-3-(fluoromethyl)pyridine (PubChem CID 171372934) has the molecular formula C6H4ClF2N and a molecular weight of 163.55 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-(fluoromethyl)pyridine.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-(fluoromethyl)pyridine
PubChem CID171372934
Molecular FormulaC6H4ClF2N
Molecular Weight163.55 g/mol
Exact Mass163.00
IUPAC Name6-chloro-2-fluoro-3-(fluoromethyl)pyridine
SMILESFCc1ccc(Cl)nc1F
InChIInChI=1S/C6H4ClF2N/c7-5-2-1-4(3-8)6(9)10-5/h1-2H,3H2
InChIKeyMVRJIJMXKIZJFD-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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 6-chloro-2-fluoro-3-(fluoromethyl)pyridine?
The IUPAC name of 6-chloro-2-fluoro-3-(fluoromethyl)pyridine (CID 171372934) is 6-chloro-2-fluoro-3-(fluoromethyl)pyridine.
What is the SMILES notation for 6-chloro-2-fluoro-3-(fluoromethyl)pyridine?
The canonical SMILES for 6-chloro-2-fluoro-3-(fluoromethyl)pyridine is FCc1ccc(Cl)nc1F.
What is the InChIKey of 6-chloro-2-fluoro-3-(fluoromethyl)pyridine?
The InChIKey is MVRJIJMXKIZJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2N/c7-5-2-1-4(3-8)6(9)10-5/h1-2H,3H2.
What are the key properties of 6-chloro-2-fluoro-3-(fluoromethyl)pyridine?
6-chloro-2-fluoro-3-(fluoromethyl)pyridine has a molecular weight of 163.55 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-(fluoromethyl)pyridine is sourced from PubChem (CID 171372934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).