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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Related Compounds

3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130070902
2,3,6-trichloropyridine-4-carbonitrile
CID 154089690
2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 141497615
2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130076123
3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070896
3-bromo-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130108571
3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile
CID 130070976
4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile
CID 130099594
2,3,5-trichlorobenzonitrile
CID 19800061
4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 118845275
2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119022260
2-fluoro-5-methylpyridine-4-carbonitrile
CID 130133304

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).