6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile

C7H4F2IN3 — CID 119004899

IUPAC6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
SMILESN#Cc1cc(I)c(N)nc1C(F)F
InChIInChI=1S/C7H4F2IN3/c8-6(9)5-3(2-11)1-4(10)7(12)13-5/h1,6H,(H2,12,13)
InChIKeyHUVWZVXTMMMHMR-UHFFFAOYSA-N
MW295.03 g/mol
LogP2.08
Rot. Bonds1

About 6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile

6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile (PubChem CID 119004899) has the molecular formula C7H4F2IN3 and a molecular weight of 295.03 g/mol. Its IUPAC name is 6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
PubChem CID119004899
Molecular FormulaC7H4F2IN3
Molecular Weight295.03 g/mol
Exact Mass294.94
IUPAC Name6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
SMILESN#Cc1cc(I)c(N)nc1C(F)F
InChIInChI=1S/C7H4F2IN3/c8-6(9)5-3(2-11)1-4(10)7(12)13-5/h1,6H,(H2,12,13)
InChIKeyHUVWZVXTMMMHMR-UHFFFAOYSA-N
XLogP2.08
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.03
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118814384
2-amino-5-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 119021912
5-amino-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130103195
2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118831357
3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide
CID 130077820
2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile
CID 130101068
3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 130077780
3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103729
5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
CID 130103192
2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile
CID 118850770
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile
CID 130075872

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile?
The IUPAC name of 6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile (CID 119004899) is 6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile?
The canonical SMILES for 6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile is N#Cc1cc(I)c(N)nc1C(F)F.
What is the InChIKey of 6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile?
The InChIKey is HUVWZVXTMMMHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2IN3/c8-6(9)5-3(2-11)1-4(10)7(12)13-5/h1,6H,(H2,12,13).
What are the key properties of 6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile?
6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile has a molecular weight of 295.03 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile is sourced from PubChem (CID 119004899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).