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

C7H2F3IN2 — CID 118850770

IUPAC2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile
SMILESN#Cc1cc(I)nc(C(F)F)c1F
InChIInChI=1S/C7H2F3IN2/c8-5-3(2-12)1-4(11)13-6(5)7(9)10/h1,7H
InChIKeyYGIGWAIRZAVMEK-UHFFFAOYSA-N
MW298.01 g/mol
LogP2.63
Rot. Bonds1

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

2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile (PubChem CID 118850770) has the molecular formula C7H2F3IN2 and a molecular weight of 298.01 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile
PubChem CID118850770
Molecular FormulaC7H2F3IN2
Molecular Weight298.01 g/mol
Exact Mass297.92
IUPAC Name2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile
SMILESN#Cc1cc(I)nc(C(F)F)c1F
InChIInChI=1S/C7H2F3IN2/c8-5-3(2-12)1-4(11)13-6(5)7(9)10/h1,7H
InChIKeyYGIGWAIRZAVMEK-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile
CID 130070976
2-(difluoromethyl)-3-fluoro-6-formylpyridine-4-carbonitrile
CID 130076245
methyl 4-cyano-2-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 130077676
4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile
CID 118817239
4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 130080071
6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119004899
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130077308
5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 130077346
6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile
CID 130077512
2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile
CID 118837224
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile
CID 130075872

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile (CID 118850770) is 2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile is N#Cc1cc(I)nc(C(F)F)c1F.
What is the InChIKey of 2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile?
The InChIKey is YGIGWAIRZAVMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3IN2/c8-5-3(2-12)1-4(11)13-6(5)7(9)10/h1,7H.
What are the key properties of 2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile?
2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-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)-3-fluoro-6-iodopyridine-4-carbonitrile is sourced from PubChem (CID 118850770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).