2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile

C8H4F3IN2 — CID 118837346

IUPAC2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(F)c(I)nc1C(F)F
InChIInChI=1S/C8H4F3IN2/c9-5-3-4(1-2-13)6(7(10)11)14-8(5)12/h3,7H,1H2
InChIKeyPDZGYOROIPTODA-UHFFFAOYSA-N
MW312.03 g/mol
LogP2.83
Rot. Bonds2

About 2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile

2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile (PubChem CID 118837346) has the molecular formula C8H4F3IN2 and a molecular weight of 312.03 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile
PubChem CID118837346
Molecular FormulaC8H4F3IN2
Molecular Weight312.03 g/mol
Exact Mass311.94
IUPAC Name2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(F)c(I)nc1C(F)F
InChIInChI=1S/C8H4F3IN2/c9-5-3-4(1-2-13)6(7(10)11)14-8(5)12/h3,7H,1H2
InChIKeyPDZGYOROIPTODA-UHFFFAOYSA-N
XLogP2.83
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.03
LogP ≤ 52.83
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-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile
CID 119012339
2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873
2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetonitrile
CID 130099811
2-[6-(difluoromethyl)-5-hydroxy-2-iodo-3-pyridinyl]acetonitrile
CID 118820324
2-[6-bromo-2-(difluoromethyl)-5-iodo-3-pyridinyl]acetonitrile
CID 130068327
2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
CID 130081614
2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119009096
2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130071864
2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130074290
2-(difluoromethyl)-5-fluoro-6-iodo-3-methylpyridine
CID 130079892
2-[2-(difluoromethyl)-3,6-difluoro-4-pyridinyl]acetonitrile
CID 130099810
2-[6-(difluoromethyl)-2-fluoro-3-iodo-4-pyridinyl]acetonitrile
CID 130080144

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile (CID 118837346) is 2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile is N#CCc1cc(F)c(I)nc1C(F)F.
What is the InChIKey of 2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile?
The InChIKey is PDZGYOROIPTODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3IN2/c9-5-3-4(1-2-13)6(7(10)11)14-8(5)12/h3,7H,1H2.
What are the key properties of 2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile?
2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile has a molecular weight of 312.03 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile is sourced from PubChem (CID 118837346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).