CID 159293297

C7H4INNa — CID 159293297

IUPAC—
SMILESN#Cc1ccccc1I.[Na]
InChIInChI=1S/C7H4IN.Na/c8-7-4-2-1-3-6(7)5-9;/h1-4H;
InChIKeyLAJZTVKNUVSDRT-UHFFFAOYSA-N
MW252.01 g/mol
LogP1.78
Rot. Bonds

About CID 159293297

CID 159293297 (PubChem CID 159293297) has the molecular formula C7H4INNa and a molecular weight of 252.01 g/mol.

Molecular Properties

Compound NameCID 159293297
PubChem CID159293297
Molecular FormulaC7H4INNa
Molecular Weight252.01 g/mol
Exact Mass251.93
IUPAC Name—
SMILESN#Cc1ccccc1I.[Na]
InChIInChI=1S/C7H4IN.Na/c8-7-4-2-1-3-6(7)5-9;/h1-4H;
InChIKeyLAJZTVKNUVSDRT-UHFFFAOYSA-N
XLogP1.78
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.01
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene
CID 11316350
azane;benzene-1,2-dicarbonitrile
CID 141338892
benzene-1,2-dicarbonitrile;tetrahydrofluoride
CID 174356358
benzene-1,2-dicarbonitrile;dihydrochloride
CID 66675666
benzene-1,2-dicarbonitrile;palladium(2+);dichloride
CID 175388598
copper(1+);1-ethynyl-2-iodobenzene
CID 78062932
1-(2-cyanophenyl)-3-(2-iodophenyl)urea
CID 108868891
2,4-diiodobenzonitrile
CID 11199048
(2-cyanophenyl) hypoiodite
CID 154315791
2-(iodomethyl)benzonitrile
CID 64788563
2-chlorobenzonitrile
CID 139060041
2-ethynylbenzonitrile
CID 11116074

Frequently Asked Questions

What is the IUPAC name of CID 159293297?
The IUPAC name of CID 159293297 (CID 159293297) is not available.
What is the SMILES notation for CID 159293297?
The canonical SMILES for CID 159293297 is N#Cc1ccccc1I.[Na].
What is the InChIKey of CID 159293297?
The InChIKey is LAJZTVKNUVSDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4IN.Na/c8-7-4-2-1-3-6(7)5-9;/h1-4H;.
What are the key properties of CID 159293297?
CID 159293297 has a molecular weight of 252.01 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159293297 is sourced from PubChem (CID 159293297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).