3-bromo-5-iodobenzohydrazide

C7H6BrIN2O — CID 130139017

IUPAC3-bromo-5-iodobenzohydrazide
SMILESNNC(=O)c1cc(Br)cc(I)c1
InChIInChI=1S/C7H6BrIN2O/c8-5-1-4(7(12)11-10)2-6(9)3-5/h1-3H,10H2,(H,11,12)
InChIKeyAEVXOFWTMFVLBT-UHFFFAOYSA-N
MW340.95 g/mol
LogP1.66
Rot. Bonds1

About 3-bromo-5-iodobenzohydrazide

3-bromo-5-iodobenzohydrazide (PubChem CID 130139017) has the molecular formula C7H6BrIN2O and a molecular weight of 340.95 g/mol. Its IUPAC name is 3-bromo-5-iodobenzohydrazide.

Molecular Properties

Compound Name3-bromo-5-iodobenzohydrazide
PubChem CID130139017
Molecular FormulaC7H6BrIN2O
Molecular Weight340.95 g/mol
Exact Mass339.87
IUPAC Name3-bromo-5-iodobenzohydrazide
SMILESNNC(=O)c1cc(Br)cc(I)c1
InChIInChI=1S/C7H6BrIN2O/c8-5-1-4(7(12)11-10)2-6(9)3-5/h1-3H,10H2,(H,11,12)
InChIKeyAEVXOFWTMFVLBT-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.95
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-iodo-N-methoxybenzamide
CID 90419041
2-bromo-1-(3-bromo-5-iodophenyl)ethanone
CID 118815509
3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide
CID 170766371
N-(2-aminoethyl)-3,5-dibromobenzamide
CID 107971787
4-bromo-3,5-dichlorobenzohydrazide
CID 169499880
3,5-dibromo-N-(2-sulfanylethyl)benzamide
CID 118586538
3,5-dibromo-N-(2-methylpropoxy)benzamide
CID 103908515
3,5-dichlorobenzohydrazide
CID 2735966
2-bromo-5-iodobenzohydrazide
CID 3623021
3,5-dibromo-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103907474
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide
CID 103908225

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-iodobenzohydrazide?
The IUPAC name of 3-bromo-5-iodobenzohydrazide (CID 130139017) is 3-bromo-5-iodobenzohydrazide.
What is the SMILES notation for 3-bromo-5-iodobenzohydrazide?
The canonical SMILES for 3-bromo-5-iodobenzohydrazide is NNC(=O)c1cc(Br)cc(I)c1.
What is the InChIKey of 3-bromo-5-iodobenzohydrazide?
The InChIKey is AEVXOFWTMFVLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrIN2O/c8-5-1-4(7(12)11-10)2-6(9)3-5/h1-3H,10H2,(H,11,12).
What are the key properties of 3-bromo-5-iodobenzohydrazide?
3-bromo-5-iodobenzohydrazide has a molecular weight of 340.95 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-iodobenzohydrazide is sourced from PubChem (CID 130139017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).