2-bromo-5-iodobenzohydrazide

C7H6BrIN2O — CID 3623021

IUPAC2-bromo-5-iodobenzohydrazide
SMILESNNC(=O)c1cc(I)ccc1Br
InChIInChI=1S/C7H6BrIN2O/c8-6-2-1-4(9)3-5(6)7(12)11-10/h1-3H,10H2,(H,11,12)
InChIKeyZTPUATYYDFFRET-UHFFFAOYSA-N
MW340.95 g/mol
LogP1.66
Rot. Bonds1

About 2-bromo-5-iodobenzohydrazide

2-bromo-5-iodobenzohydrazide (PubChem CID 3623021) has the molecular formula C7H6BrIN2O and a molecular weight of 340.95 g/mol. Its IUPAC name is 2-bromo-5-iodobenzohydrazide.

Molecular Properties

Compound Name2-bromo-5-iodobenzohydrazide
PubChem CID3623021
Molecular FormulaC7H6BrIN2O
Molecular Weight340.95 g/mol
Exact Mass339.87
IUPAC Name2-bromo-5-iodobenzohydrazide
SMILESNNC(=O)c1cc(I)ccc1Br
InChIInChI=1S/C7H6BrIN2O/c8-6-2-1-4(9)3-5(6)7(12)11-10/h1-3H,10H2,(H,11,12)
InChIKeyZTPUATYYDFFRET-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

2,4-diiodobenzohydrazide
CID 67233713
3-[(2-bromo-5-iodobenzoyl)amino]-4-methylpentanoic acid
CID 114027480
N-(4-amino-4-sulfanylidenebutyl)-2-bromo-5-iodobenzamide
CID 114027669
N-(2-amino-2-ethylbutyl)-2-bromo-5-iodobenzamide
CID 114026196
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-5-iodobenzamide
CID 114026176
2-bromo-N-(1-bromo-4-methylpentan-3-yl)-5-iodobenzamide
CID 106355270
2-bromo-N-but-3-ynyl-5-iodobenzamide
CID 103989976
methyl (2S)-2-[(2-bromo-5-iodobenzoyl)amino]propanoate
CID 103994280
2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103995758
2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide
CID 103993852
2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide
CID 103994631
2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528337

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodobenzohydrazide?
The IUPAC name of 2-bromo-5-iodobenzohydrazide (CID 3623021) is 2-bromo-5-iodobenzohydrazide.
What is the SMILES notation for 2-bromo-5-iodobenzohydrazide?
The canonical SMILES for 2-bromo-5-iodobenzohydrazide is NNC(=O)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-5-iodobenzohydrazide?
The InChIKey is ZTPUATYYDFFRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrIN2O/c8-6-2-1-4(9)3-5(6)7(12)11-10/h1-3H,10H2,(H,11,12).
What are the key properties of 2-bromo-5-iodobenzohydrazide?
2-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 2-bromo-5-iodobenzohydrazide is sourced from PubChem (CID 3623021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).