5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile

C7H3F3N2 — CID 130095791

IUPAC5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
SMILESN#Cc1cnc(F)c(C(F)F)c1
InChIInChI=1S/C7H3F3N2/c8-6(9)5-1-4(2-11)3-12-7(5)10/h1,3,6H
InChIKeyDDBXGWNIJILCNK-UHFFFAOYSA-N
MW172.11 g/mol
LogP2.03
Rot. Bonds1

About 5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile

5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile (PubChem CID 130095791) has the molecular formula C7H3F3N2 and a molecular weight of 172.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
PubChem CID130095791
Molecular FormulaC7H3F3N2
Molecular Weight172.11 g/mol
Exact Mass172.02
IUPAC Name5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
SMILESN#Cc1cnc(F)c(C(F)F)c1
InChIInChI=1S/C7H3F3N2/c8-6(9)5-1-4(2-11)3-12-7(5)10/h1,3,6H
InChIKeyDDBXGWNIJILCNK-UHFFFAOYSA-N
XLogP2.03
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.11
LogP ≤ 52.03
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

6-amino-5-(difluoromethyl)pyridine-3-carbonitrile
CID 130094585
5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134671200
3-(difluoromethyl)-2,5-difluoropyridine
CID 70480194
6-fluoro-5-formylpyridine-3-carbonitrile
CID 121380176
6-(difluoromethyl)-5-methylpyridine-3-carbonitrile
CID 130095854
6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile
CID 130095977
5-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 119007816
5-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
CID 130095789
4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 119084985
5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile
CID 118039059
4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
CID 130095787
4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile
CID 130099594

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile (CID 130095791) is 5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile is N#Cc1cnc(F)c(C(F)F)c1.
What is the InChIKey of 5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile?
The InChIKey is DDBXGWNIJILCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2/c8-6(9)5-1-4(2-11)3-12-7(5)10/h1,3,6H.
What are the key properties of 5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile?
5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile has a molecular weight of 172.11 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 130095791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).