2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile

C7H2F3IN2 — CID 130075915

IUPAC2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)ncc(F)c1I
InChIInChI=1S/C7H2F3IN2/c8-4-2-13-6(7(9)10)3(1-12)5(4)11/h2,7H
InChIKeyYYMLRKZJDQXACF-UHFFFAOYSA-N
MW298.01 g/mol
LogP2.63
Rot. Bonds1

About 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile

2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile (PubChem CID 130075915) has the molecular formula C7H2F3IN2 and a molecular weight of 298.01 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile
PubChem CID130075915
Molecular FormulaC7H2F3IN2
Molecular Weight298.01 g/mol
Exact Mass297.92
IUPAC Name2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)ncc(F)c1I
InChIInChI=1S/C7H2F3IN2/c8-4-2-13-6(7(9)10)3(1-12)5(4)11/h2,7H
InChIKeyYYMLRKZJDQXACF-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

2-(difluoromethyl)-4-iodo-5-methylpyridine-3-carbonitrile
CID 130077201
2-(difluoromethyl)-5-(hydroxymethyl)-4-iodopyridine-3-carbonitrile
CID 130077513
2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile
CID 130077203
5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride
CID 134685688
3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077293
methyl 5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130077654
4-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carbonitrile
CID 130075921
3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile
CID 130075896
3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
CID 130076091
6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile
CID 130100464
2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077515
4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 118849836

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile (CID 130075915) is 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile is N#Cc1c(C(F)F)ncc(F)c1I.
What is the InChIKey of 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile?
The InChIKey is YYMLRKZJDQXACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3IN2/c8-4-2-13-6(7(9)10)3(1-12)5(4)11/h2,7H.
What are the key properties of 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile?
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-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 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile is sourced from PubChem (CID 130075915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).