2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile

C8H4F2I2N2 — CID 130100638

IUPAC2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(I)cc(I)c1C(F)F
InChIInChI=1S/C8H4F2I2N2/c9-8(10)7-4(11)3-6(12)14-5(7)1-2-13/h3,8H,1H2
InChIKeyOUDLMNJFKHXUTI-UHFFFAOYSA-N
MW419.94 g/mol
LogP3.29
Rot. Bonds2

About 2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile

2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile (PubChem CID 130100638) has the molecular formula C8H4F2I2N2 and a molecular weight of 419.94 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile
PubChem CID130100638
Molecular FormulaC8H4F2I2N2
Molecular Weight419.94 g/mol
Exact Mass419.84
IUPAC Name2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(I)cc(I)c1C(F)F
InChIInChI=1S/C8H4F2I2N2/c9-8(10)7-4(11)3-6(12)14-5(7)1-2-13/h3,8H,1H2
InChIKeyOUDLMNJFKHXUTI-UHFFFAOYSA-N
XLogP3.29
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.94
LogP ≤ 53.29
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

2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile
CID 118823699
2-[6-(bromomethyl)-4-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130075144
2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134683339
2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile
CID 118817715
2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile
CID 130081079
3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine
CID 130100478
2-[6-chloro-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 118999391
2-bromo-3-(difluoromethyl)-4,6-diiodopyridine
CID 130100418
2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104341
2-[6-(aminomethyl)-4-bromo-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070026
2-[3-(bromomethyl)-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130087094
2-[4-(chloromethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 130087449

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile (CID 130100638) is 2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile is N#CCc1nc(I)cc(I)c1C(F)F.
What is the InChIKey of 2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile?
The InChIKey is OUDLMNJFKHXUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2I2N2/c9-8(10)7-4(11)3-6(12)14-5(7)1-2-13/h3,8H,1H2.
What are the key properties of 2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile?
2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile has a molecular weight of 419.94 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130100638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).