3,5,6-trichloro-4-fluoropyridine-2-carbonitrile

C6Cl3FN2 — CID 88709704

IUPAC3,5,6-trichloro-4-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(Cl)c(Cl)c(F)c1Cl
InChIInChI=1S/C6Cl3FN2/c7-3-2(1-11)12-6(9)4(8)5(3)10
InChIKeySOQXEJPXHQDEIJ-UHFFFAOYSA-N
MW225.44 g/mol
LogP3.05
Rot. Bonds

About 3,5,6-trichloro-4-fluoropyridine-2-carbonitrile

3,5,6-trichloro-4-fluoropyridine-2-carbonitrile (PubChem CID 88709704) has the molecular formula C6Cl3FN2 and a molecular weight of 225.44 g/mol. Its IUPAC name is 3,5,6-trichloro-4-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name3,5,6-trichloro-4-fluoropyridine-2-carbonitrile
PubChem CID88709704
Molecular FormulaC6Cl3FN2
Molecular Weight225.44 g/mol
Exact Mass223.91
IUPAC Name3,5,6-trichloro-4-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(Cl)c(Cl)c(F)c1Cl
InChIInChI=1S/C6Cl3FN2/c7-3-2(1-11)12-6(9)4(8)5(3)10
InChIKeySOQXEJPXHQDEIJ-UHFFFAOYSA-N
XLogP3.05
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,5,6-trichloro-4-fluoropyridine-2-carbonitrile?
The IUPAC name of 3,5,6-trichloro-4-fluoropyridine-2-carbonitrile (CID 88709704) is 3,5,6-trichloro-4-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 3,5,6-trichloro-4-fluoropyridine-2-carbonitrile?
The canonical SMILES for 3,5,6-trichloro-4-fluoropyridine-2-carbonitrile is N#Cc1nc(Cl)c(Cl)c(F)c1Cl.
What is the InChIKey of 3,5,6-trichloro-4-fluoropyridine-2-carbonitrile?
The InChIKey is SOQXEJPXHQDEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl3FN2/c7-3-2(1-11)12-6(9)4(8)5(3)10.
What are the key properties of 3,5,6-trichloro-4-fluoropyridine-2-carbonitrile?
3,5,6-trichloro-4-fluoropyridine-2-carbonitrile has a molecular weight of 225.44 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-4-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 88709704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).