5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile

C7H2F2I2N2 — CID 118991428

IUPAC5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(I)c1I
InChIInChI=1S/C7H2F2I2N2/c8-7(9)3-2-13-4(1-12)6(11)5(3)10/h2,7H
InChIKeyVSPFJZKVPPGFLR-UHFFFAOYSA-N
MW405.91 g/mol
LogP3.10
Rot. Bonds1

About 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile

5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile (PubChem CID 118991428) has the molecular formula C7H2F2I2N2 and a molecular weight of 405.91 g/mol. Its IUPAC name is 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
PubChem CID118991428
Molecular FormulaC7H2F2I2N2
Molecular Weight405.91 g/mol
Exact Mass405.83
IUPAC Name5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(I)c1I
InChIInChI=1S/C7H2F2I2N2/c8-7(9)3-2-13-4(1-12)6(11)5(3)10/h2,7H
InChIKeyVSPFJZKVPPGFLR-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-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130077417
3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile
CID 130075896
5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile
CID 130077459
5-(difluoromethyl)-2-fluoro-3,4-diiodopyridine
CID 130100485
5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile
CID 130075927
6-cyano-4-(difluoromethyl)-5-iodopyridine-3-carboxamide
CID 118995518
3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130071095
2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130077319
4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118829099
3-bromo-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130108638
3-amino-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103257
4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118811799

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile (CID 118991428) is 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile is N#Cc1ncc(C(F)F)c(I)c1I.
What is the InChIKey of 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile?
The InChIKey is VSPFJZKVPPGFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F2I2N2/c8-7(9)3-2-13-4(1-12)6(11)5(3)10/h2,7H.
What are the key properties of 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile?
5-(difluoromethyl)-3,4-diiodopyridine-2-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 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile is sourced from PubChem (CID 118991428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).