3-chloro-2,6-difluoropyridine-4-carbonitrile

C6HClF2N2 — CID 133081070

IUPAC3-chloro-2,6-difluoropyridine-4-carbonitrile
SMILESN#Cc1cc(F)nc(F)c1Cl
InChIInChI=1S/C6HClF2N2/c7-5-3(2-10)1-4(8)11-6(5)9/h1H
InChIKeyJRKGUJVCBSYHLP-UHFFFAOYSA-N
MW174.54 g/mol
LogP1.88
Rot. Bonds

About 3-chloro-2,6-difluoropyridine-4-carbonitrile

3-chloro-2,6-difluoropyridine-4-carbonitrile (PubChem CID 133081070) has the molecular formula C6HClF2N2 and a molecular weight of 174.54 g/mol. Its IUPAC name is 3-chloro-2,6-difluoropyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2,6-difluoropyridine-4-carbonitrile
PubChem CID133081070
Molecular FormulaC6HClF2N2
Molecular Weight174.54 g/mol
Exact Mass173.98
IUPAC Name3-chloro-2,6-difluoropyridine-4-carbonitrile
SMILESN#Cc1cc(F)nc(F)c1Cl
InChIInChI=1S/C6HClF2N2/c7-5-3(2-10)1-4(8)11-6(5)9/h1H
InChIKeyJRKGUJVCBSYHLP-UHFFFAOYSA-N
XLogP1.88
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.54
LogP ≤ 51.88
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-chloro-2,6-difluoropyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2,6-difluoropyridine-4-carbonitrile (CID 133081070) is 3-chloro-2,6-difluoropyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2,6-difluoropyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2,6-difluoropyridine-4-carbonitrile is N#Cc1cc(F)nc(F)c1Cl.
What is the InChIKey of 3-chloro-2,6-difluoropyridine-4-carbonitrile?
The InChIKey is JRKGUJVCBSYHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HClF2N2/c7-5-3(2-10)1-4(8)11-6(5)9/h1H.
What are the key properties of 3-chloro-2,6-difluoropyridine-4-carbonitrile?
3-chloro-2,6-difluoropyridine-4-carbonitrile has a molecular weight of 174.54 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-difluoropyridine-4-carbonitrile is sourced from PubChem (CID 133081070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).