2-fluorobenzene-6-ide-1-carbonitrile;iodozinc(1+)

C7H3FINZn — CID 2778639

IUPAC2-fluorobenzene-6-ide-1-carbonitrile;iodozinc(1+)
SMILESN#Cc1[c-]cccc1F.[Zn+]I
InChIInChI=1S/C7H3FN.HI.Zn/c8-7-4-2-1-3-6(7)5-9;;/h1-2,4H;1H;/q-1;;+2/p-1
InChIKeyIQIGRZVNRAMNTC-UHFFFAOYSA-M
MW312.40 g/mol
LogP2.38
Rot. Bonds

About 2-fluorobenzene-6-ide-1-carbonitrile;iodozinc(1+)

2-fluorobenzene-6-ide-1-carbonitrile;iodozinc(1+) (PubChem CID 2778639) has the molecular formula C7H3FINZn and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-fluorobenzene-6-ide-1-carbonitrile;iodozinc(1+).

Molecular Properties

Compound Name2-fluorobenzene-6-ide-1-carbonitrile;iodozinc(1+)
PubChem CID2778639
Molecular FormulaC7H3FINZn
Molecular Weight312.40 g/mol
Exact Mass310.86
IUPAC Name2-fluorobenzene-6-ide-1-carbonitrile;iodozinc(1+)
SMILESN#Cc1[c-]cccc1F.[Zn+]I
InChIInChI=1S/C7H3FN.HI.Zn/c8-7-4-2-1-3-6(7)5-9;;/h1-2,4H;1H;/q-1;;+2/p-1
InChIKeyIQIGRZVNRAMNTC-UHFFFAOYSA-M
XLogP2.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-Cyanophenylzinc bromide
CID 4229823
Zinc bromide 4-cyanobenzen-1-ide (1/1/1)
CID 5073750
4-Cyanophenylzinc bromide
CID 18188582
Iodozinc(1+) 2-cyano-3-fluorobenzen-1-ide
CID 54707059
(2-cyano-3-fluorophenyl)zinc(II) iodide
CID 57364446
4-Cyanophenylzinc iodide
CID 11369897
Zinc, (2-cyanophenyl)iodo-
CID 11748425
3-Cyanophenylzinc bromide, 0.50 M in THF
CID 58677820
Benzonitrile;ZINC
CID 134854609
CID 54698168
CID 54698168
(E)-2-ethenyl-5-fluoropent-2-enenitrile
CID 87922199
2,4-Difluorocyclohexa-1,5-diene-1-carbonitrile
CID 89054419

Frequently Asked Questions

What is the IUPAC name of 2-fluorobenzene-6-ide-1-carbonitrile;iodozinc(1+)?
The IUPAC name of 2-fluorobenzene-6-ide-1-carbonitrile;iodozinc(1+) (CID 2778639) is 2-fluorobenzene-6-ide-1-carbonitrile;iodozinc(1+).
What is the SMILES notation for 2-fluorobenzene-6-ide-1-carbonitrile;iodozinc(1+)?
The canonical SMILES for 2-fluorobenzene-6-ide-1-carbonitrile;iodozinc(1+) is N#Cc1[c-]cccc1F.[Zn+]I.
What is the InChIKey of 2-fluorobenzene-6-ide-1-carbonitrile;iodozinc(1+)?
The InChIKey is IQIGRZVNRAMNTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H3FN.HI.Zn/c8-7-4-2-1-3-6(7)5-9;;/h1-2,4H;1H;/q-1;;+2/p-1.
What are the key properties of 2-fluorobenzene-6-ide-1-carbonitrile;iodozinc(1+)?
2-fluorobenzene-6-ide-1-carbonitrile;iodozinc(1+) has a molecular weight of 312.40 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobenzene-6-ide-1-carbonitrile;iodozinc(1+) is sourced from PubChem (CID 2778639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).