4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile

C7H3F3N2 — CID 130095787

IUPAC4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)ccnc1F
InChIInChI=1S/C7H3F3N2/c8-6(9)4-1-2-12-7(10)5(4)3-11/h1-2,6H
InChIKeyKDNRZOLUBZOBAJ-UHFFFAOYSA-N
MW172.11 g/mol
LogP2.03
Rot. Bonds1

About 4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile

4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile (PubChem CID 130095787) has the molecular formula C7H3F3N2 and a molecular weight of 172.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
PubChem CID130095787
Molecular FormulaC7H3F3N2
Molecular Weight172.11 g/mol
Exact Mass172.02
IUPAC Name4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)ccnc1F
InChIInChI=1S/C7H3F3N2/c8-6(9)4-1-2-12-7(10)5(4)3-11/h1-2,6H
InChIKeyKDNRZOLUBZOBAJ-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

4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile
CID 130099594
3-amino-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130094588
2-methyl-4-propan-2-ylpyridine-3-carbonitrile
CID 4210277
3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130095942
5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile
CID 130075927
2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile
CID 59589241
2-chloro-2-(3-chloro-2-fluoro-4-pyridinyl)acetonitrile
CID 130140290
5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130095791
2,3-dibromo-5-(difluoromethyl)pyridine-4-carbonitrile
CID 118833890
2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076122
3-bromo-2-fluoropyridine-4-carbonitrile
CID 121227725
3-bromo-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130108638

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile (CID 130095787) is 4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile is N#Cc1c(C(F)F)ccnc1F.
What is the InChIKey of 4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile?
The InChIKey is KDNRZOLUBZOBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2/c8-6(9)4-1-2-12-7(10)5(4)3-11/h1-2,6H.
What are the key properties of 4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile?
4-(difluoromethyl)-2-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 4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 130095787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).