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

C7H3F3N2 — CID 119084985

IUPAC4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
SMILESN#Cc1cnc(F)cc1C(F)F
InChIInChI=1S/C7H3F3N2/c8-6-1-5(7(9)10)4(2-11)3-12-6/h1,3,7H
InChIKeyHXZFTAKYYYSWGV-UHFFFAOYSA-N
MW172.11 g/mol
LogP2.03
Rot. Bonds1

About 4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile

4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile (PubChem CID 119084985) has the molecular formula C7H3F3N2 and a molecular weight of 172.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
PubChem CID119084985
Molecular FormulaC7H3F3N2
Molecular Weight172.11 g/mol
Exact Mass172.02
IUPAC Name4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
SMILESN#Cc1cnc(F)cc1C(F)F
InChIInChI=1S/C7H3F3N2/c8-6-1-5(7(9)10)4(2-11)3-12-6/h1,3,7H
InChIKeyHXZFTAKYYYSWGV-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)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134682035
5-bromo-4-(difluoromethyl)-2-fluoropyridine
CID 130095003
6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130095794
2-fluoro-5-methylpyridine-4-carbonitrile
CID 130133304
4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118846246
methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133097673
4-bromo-5-(difluoromethyl)-2-fluoropyridine
CID 118839444
4-(difluoromethyl)-2-fluoro-5-nitropyridine
CID 130096275
5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130095790
5-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 119007816
5-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
CID 130095789
5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130095791

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile (CID 119084985) is 4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile is N#Cc1cnc(F)cc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile?
The InChIKey is HXZFTAKYYYSWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2/c8-6-1-5(7(9)10)4(2-11)3-12-6/h1,3,7H.
What are the key properties of 4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile?
4-(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 4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 119084985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).