CID 101066034

C6H5INO — CID 101066034

IUPAC—
SMILES[O]Nc1ccccc1I
InChIInChI=1S/C6H5INO/c7-5-3-1-2-4-6(5)8-9/h1-4,8H
InChIKeyJBJABRZVSFGNJI-UHFFFAOYSA-N
MW234.02 g/mol
LogP2.05
Rot. Bonds1

About CID 101066034

CID 101066034 (PubChem CID 101066034) has the molecular formula C6H5INO and a molecular weight of 234.02 g/mol.

Molecular Properties

Compound NameCID 101066034
PubChem CID101066034
Molecular FormulaC6H5INO
Molecular Weight234.02 g/mol
Exact Mass233.94
IUPAC Name—
SMILES[O]Nc1ccccc1I
InChIInChI=1S/C6H5INO/c7-5-3-1-2-4-6(5)8-9/h1-4,8H
InChIKeyJBJABRZVSFGNJI-UHFFFAOYSA-N
XLogP2.05
TPSA31.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.02
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodophenyl)sulfamoyl iodide
CID 155206328
N-(2-iodophenyl)benzenesulfonamide
CID 632219
N-(2-iodophenyl)ethanesulfonamide
CID 6468386
1,2-diiodobenzene;tetrahydrofluoride
CID 174612997
2-(2-iodoanilino)ethanol
CID 28978311
4-[(2-iodophenyl)carbamoyl]benzoic acid
CID 43386509
2,6-dichloro-N-(2-iodophenyl)aniline
CID 175620459
N-(2-iodophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 604403
4-(2-iodoanilino)butan-2-one
CID 71353813
4-fluoro-N-(2-iodophenyl)benzamide
CID 687036
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
N-(2-iodophenyl)-4-sulfanylbenzamide
CID 107022140

Frequently Asked Questions

What is the IUPAC name of CID 101066034?
The IUPAC name of CID 101066034 (CID 101066034) is not available.
What is the SMILES notation for CID 101066034?
The canonical SMILES for CID 101066034 is [O]Nc1ccccc1I.
What is the InChIKey of CID 101066034?
The InChIKey is JBJABRZVSFGNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5INO/c7-5-3-1-2-4-6(5)8-9/h1-4,8H.
What are the key properties of CID 101066034?
CID 101066034 has a molecular weight of 234.02 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101066034 is sourced from PubChem (CID 101066034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).