3-chloro-2,5,6-trifluoropyridine

C5HClF3N — CID 2783252

IUPAC3-chloro-2,5,6-trifluoropyridine
SMILESFc1cc(Cl)c(F)nc1F
InChIInChI=1S/C5HClF3N/c6-2-1-3(7)5(9)10-4(2)8/h1H
InChIKeyOROKHXKJSDPRET-UHFFFAOYSA-N
MW167.52 g/mol
LogP2.15
Rot. Bonds

About 3-chloro-2,5,6-trifluoropyridine

3-chloro-2,5,6-trifluoropyridine (PubChem CID 2783252) has the molecular formula C5HClF3N and a molecular weight of 167.52 g/mol. Its IUPAC name is 3-chloro-2,5,6-trifluoropyridine.

Molecular Properties

Compound Name3-chloro-2,5,6-trifluoropyridine
PubChem CID2783252
Molecular FormulaC5HClF3N
Molecular Weight167.52 g/mol
Exact Mass166.97
IUPAC Name3-chloro-2,5,6-trifluoropyridine
SMILESFc1cc(Cl)c(F)nc1F
InChIInChI=1S/C5HClF3N/c6-2-1-3(7)5(9)10-4(2)8/h1H
InChIKeyOROKHXKJSDPRET-UHFFFAOYSA-N
XLogP2.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.52
LogP ≤ 52.15
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 3-chloro-2,5,6-trifluoropyridine?
The IUPAC name of 3-chloro-2,5,6-trifluoropyridine (CID 2783252) is 3-chloro-2,5,6-trifluoropyridine.
What is the SMILES notation for 3-chloro-2,5,6-trifluoropyridine?
The canonical SMILES for 3-chloro-2,5,6-trifluoropyridine is Fc1cc(Cl)c(F)nc1F.
What is the InChIKey of 3-chloro-2,5,6-trifluoropyridine?
The InChIKey is OROKHXKJSDPRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HClF3N/c6-2-1-3(7)5(9)10-4(2)8/h1H.
What are the key properties of 3-chloro-2,5,6-trifluoropyridine?
3-chloro-2,5,6-trifluoropyridine has a molecular weight of 167.52 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5,6-trifluoropyridine is sourced from PubChem (CID 2783252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).