6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile

C7H2F3IN2 — CID 130075909

IUPAC6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)cc(F)c1I
InChIInChI=1S/C7H2F3IN2/c8-3-1-4(7(9)10)13-5(2-12)6(3)11/h1,7H
InChIKeyFHLLUAAGQVCSTN-UHFFFAOYSA-N
MW298.01 g/mol
LogP2.63
Rot. Bonds1

About 6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile

6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile (PubChem CID 130075909) has the molecular formula C7H2F3IN2 and a molecular weight of 298.01 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile
PubChem CID130075909
Molecular FormulaC7H2F3IN2
Molecular Weight298.01 g/mol
Exact Mass297.92
IUPAC Name6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)cc(F)c1I
InChIInChI=1S/C7H2F3IN2/c8-3-1-4(7(9)10)13-5(2-12)6(3)11/h1,7H
InChIKeyFHLLUAAGQVCSTN-UHFFFAOYSA-N
XLogP2.63
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.01
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 130076135
2-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 134684129
2-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 118836753
2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119004602
3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130107774
2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
CID 134685966
2-[6-(difluoromethyl)-2-fluoro-3-iodo-4-pyridinyl]acetonitrile
CID 130080144
4-bromo-3-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130108824
3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130108807
3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile
CID 130075896
6-(difluoromethyl)-3,5-difluoropyridine-2-carbonitrile
CID 119013699
4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile
CID 118995379

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile (CID 130075909) is 6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile is N#Cc1nc(C(F)F)cc(F)c1I.
What is the InChIKey of 6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile?
The InChIKey is FHLLUAAGQVCSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3IN2/c8-3-1-4(7(9)10)13-5(2-12)6(3)11/h1,7H.
What are the key properties of 6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile?
6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile has a molecular weight of 298.01 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile is sourced from PubChem (CID 130075909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).