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

C7H2F3IN2 — CID 130075896

IUPAC3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile
SMILESN#Cc1ncc(F)c(I)c1C(F)F
InChIInChI=1S/C7H2F3IN2/c8-3-2-13-4(1-12)5(6(3)11)7(9)10/h2,7H
InChIKeyYYPXSRWMFJPDSP-UHFFFAOYSA-N
MW298.01 g/mol
LogP2.63
Rot. Bonds1

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

3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile (PubChem CID 130075896) has the molecular formula C7H2F3IN2 and a molecular weight of 298.01 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile
PubChem CID130075896
Molecular FormulaC7H2F3IN2
Molecular Weight298.01 g/mol
Exact Mass297.92
IUPAC Name3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile
SMILESN#Cc1ncc(F)c(I)c1C(F)F
InChIInChI=1S/C7H2F3IN2/c8-3-2-13-4(1-12)5(6(3)11)7(9)10/h2,7H
InChIKeyYYPXSRWMFJPDSP-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-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108564
2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
CID 130076336
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
CID 118991428
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile
CID 130075915
4-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carbonitrile
CID 130075921
4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile
CID 130076214
3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile
CID 118992378
3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 119017060
5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile
CID 130077459
3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile
CID 130101091
6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 119012791
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 134674727

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile (CID 130075896) is 3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile is N#Cc1ncc(F)c(I)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile?
The InChIKey is YYPXSRWMFJPDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3IN2/c8-3-2-13-4(1-12)5(6(3)11)7(9)10/h2,7H.
What are the key properties of 3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile?
3-(difluoromethyl)-5-fluoro-4-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 3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile is sourced from PubChem (CID 130075896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).