4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide

C12H9BrIN3O2 — CID 31421335

IUPAC4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Br)c[nH]1)c1cccc(I)c1
InChIInChI=1S/C12H9BrIN3O2/c13-8-5-10(15-6-8)12(19)17-16-11(18)7-2-1-3-9(14)4-7/h1-6,15H,(H,16,18)(H,17,19)
InChIKeyIPLMVACJLDFEIA-UHFFFAOYSA-N
MW434.03 g/mol
LogP2.46
Rot. Bonds2

About 4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide

4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 31421335) has the molecular formula C12H9BrIN3O2 and a molecular weight of 434.03 g/mol. Its IUPAC name is 4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID31421335
Molecular FormulaC12H9BrIN3O2
Molecular Weight434.03 g/mol
Exact Mass432.89
IUPAC Name4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Br)c[nH]1)c1cccc(I)c1
InChIInChI=1S/C12H9BrIN3O2/c13-8-5-10(15-6-8)12(19)17-16-11(18)7-2-1-3-9(14)4-7/h1-6,15H,(H,16,18)(H,17,19)
InChIKeyIPLMVACJLDFEIA-UHFFFAOYSA-N
XLogP2.46
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.03
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9255934
4-bromo-N'-(2,3-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 31421337
4-bromo-N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 55406062
5-bromo-N'-(4-bromo-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide
CID 9255864
2-iodo-N'-(3-iodobenzoyl)benzohydrazide
CID 4236537
3-iodo-N'-(4-methylbenzoyl)benzohydrazide
CID 1127160
N'-(3-iodobenzoyl)pyridine-4-carbohydrazide
CID 3280219
3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzamide
CID 55874192
4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9256346
3-iodo-N'-(4-phenylbenzoyl)benzohydrazide
CID 1035001
4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 31421387
N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 39447654

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide (CID 31421335) is 4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide is O=C(NNC(=O)c1cc(Br)c[nH]1)c1cccc(I)c1.
What is the InChIKey of 4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is IPLMVACJLDFEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrIN3O2/c13-8-5-10(15-6-8)12(19)17-16-11(18)7-2-1-3-9(14)4-7/h1-6,15H,(H,16,18)(H,17,19).
What are the key properties of 4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 434.03 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 31421335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).