4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile

C7H2F4N2 — CID 130099594

IUPAC4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)cc(F)nc1F
InChIInChI=1S/C7H2F4N2/c8-5-1-3(6(9)10)4(2-12)7(11)13-5/h1,6H
InChIKeyJVFDRXOHWAPSEP-UHFFFAOYSA-N
MW190.10 g/mol
LogP2.17
Rot. Bonds1

About 4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile

4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile (PubChem CID 130099594) has the molecular formula C7H2F4N2 and a molecular weight of 190.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile
PubChem CID130099594
Molecular FormulaC7H2F4N2
Molecular Weight190.10 g/mol
Exact Mass190.02
IUPAC Name4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)cc(F)nc1F
InChIInChI=1S/C7H2F4N2/c8-5-1-3(6(9)10)4(2-12)7(11)13-5/h1,6H
InChIKeyJVFDRXOHWAPSEP-UHFFFAOYSA-N
XLogP2.17
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.10
LogP ≤ 52.17
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-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
CID 134685094
2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 141497615
3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070896
4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
CID 130095787
2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 130071216
4-bromo-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 118832955
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070918
4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119019491
2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile
CID 118997640
4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine
CID 130099672
4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 119084985
5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 134675768

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile (CID 130099594) is 4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile is N#Cc1c(C(F)F)cc(F)nc1F.
What is the InChIKey of 4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile?
The InChIKey is JVFDRXOHWAPSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F4N2/c8-5-1-3(6(9)10)4(2-12)7(11)13-5/h1,6H.
What are the key properties of 4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile?
4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile has a molecular weight of 190.10 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile is sourced from PubChem (CID 130099594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).