6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile

C7H2F2I2N2 — CID 130100464

IUPAC6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)F)c(I)c1I
InChIInChI=1S/C7H2F2I2N2/c8-7(9)6-5(11)4(10)3(1-12)2-13-6/h2,7H
InChIKeyUWLNSLMEWIEITH-UHFFFAOYSA-N
MW405.91 g/mol
LogP3.10
Rot. Bonds1

About 6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile

6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile (PubChem CID 130100464) has the molecular formula C7H2F2I2N2 and a molecular weight of 405.91 g/mol. Its IUPAC name is 6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile
PubChem CID130100464
Molecular FormulaC7H2F2I2N2
Molecular Weight405.91 g/mol
Exact Mass405.83
IUPAC Name6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)F)c(I)c1I
InChIInChI=1S/C7H2F2I2N2/c8-7(9)6-5(11)4(10)3(1-12)2-13-6/h2,7H
InChIKeyUWLNSLMEWIEITH-UHFFFAOYSA-N
XLogP3.10
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.10
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

5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130108642
5-cyano-2-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride
CID 134664575
5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076050
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile
CID 130075915
6-(difluoromethyl)-4,5-diiodopyridin-3-ol
CID 118843088
5-chloro-2-(difluoromethyl)-3,4-diiodopyridine
CID 130100445
4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 118849836
2-(difluoromethyl)-4-iodo-5-methylpyridine-3-carbonitrile
CID 130077201
6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 130108625
5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
CID 134664572
4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130108825
4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile
CID 130076160

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile (CID 130100464) is 6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile is N#Cc1cnc(C(F)F)c(I)c1I.
What is the InChIKey of 6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile?
The InChIKey is UWLNSLMEWIEITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F2I2N2/c8-7(9)6-5(11)4(10)3(1-12)2-13-6/h2,7H.
What are the key properties of 6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile?
6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile has a molecular weight of 405.91 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile is sourced from PubChem (CID 130100464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).