2-(4-bromo-2-nitrophenyl)acetohydrazide

C8H8BrN3O3 — CID 57010527

IUPAC2-(4-bromo-2-nitrophenyl)acetohydrazide
SMILESNNC(=O)Cc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8BrN3O3/c9-6-2-1-5(3-8(13)11-10)7(4-6)12(14)15/h1-2,4H,3,10H2,(H,11,13)
InChIKeyCFCDYFNNHUKVRM-UHFFFAOYSA-N
MW274.07 g/mol
LogP0.89
Rot. Bonds3

About 2-(4-bromo-2-nitrophenyl)acetohydrazide

2-(4-bromo-2-nitrophenyl)acetohydrazide (PubChem CID 57010527) has the molecular formula C8H8BrN3O3 and a molecular weight of 274.07 g/mol. Its IUPAC name is 2-(4-bromo-2-nitrophenyl)acetohydrazide.

Molecular Properties

Compound Name2-(4-bromo-2-nitrophenyl)acetohydrazide
PubChem CID57010527
Molecular FormulaC8H8BrN3O3
Molecular Weight274.07 g/mol
Exact Mass272.97
IUPAC Name2-(4-bromo-2-nitrophenyl)acetohydrazide
SMILESNNC(=O)Cc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8BrN3O3/c9-6-2-1-5(3-8(13)11-10)7(4-6)12(14)15/h1-2,4H,3,10H2,(H,11,13)
InChIKeyCFCDYFNNHUKVRM-UHFFFAOYSA-N
XLogP0.89
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-2-nitrophenyl)methylhydrazine
CID 114380923
4-[(4-bromo-2-nitrophenyl)methylamino]benzoic acid
CID 114385557
3-[(4-bromo-2-nitrophenyl)methylamino]-N-tert-butylpropanamide
CID 114381505
2-(4-bromo-2-nitrophenyl)-1-phenylethanone
CID 63198831
4-(4-bromo-2-nitrophenoxy)butanehydrazide
CID 65430385
ethyl 4-[(4-bromo-2-nitrophenyl)methylamino]butanoate
CID 114381346
4-bromo-1-[(4-bromo-2-nitrophenyl)methylsulfanylmethyl]-2-nitrobenzene
CID 87537802
2,4-dibromo-N-[(4-bromo-2-nitrophenyl)methyl]aniline
CID 114381168
5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide
CID 95911264
3-[(4-bromo-2-nitrophenyl)methylamino]propane-1-sulfonamide
CID 114385628
2-[(4-bromo-2-nitrophenyl)methylamino]-N-propan-2-ylpropanamide
CID 114381496
N-[(4-bromo-2-nitrophenyl)methyl]-2-methylpropan-1-amine
CID 114380940

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-nitrophenyl)acetohydrazide?
The IUPAC name of 2-(4-bromo-2-nitrophenyl)acetohydrazide (CID 57010527) is 2-(4-bromo-2-nitrophenyl)acetohydrazide.
What is the SMILES notation for 2-(4-bromo-2-nitrophenyl)acetohydrazide?
The canonical SMILES for 2-(4-bromo-2-nitrophenyl)acetohydrazide is NNC(=O)Cc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-bromo-2-nitrophenyl)acetohydrazide?
The InChIKey is CFCDYFNNHUKVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O3/c9-6-2-1-5(3-8(13)11-10)7(4-6)12(14)15/h1-2,4H,3,10H2,(H,11,13).
What are the key properties of 2-(4-bromo-2-nitrophenyl)acetohydrazide?
2-(4-bromo-2-nitrophenyl)acetohydrazide has a molecular weight of 274.07 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-nitrophenyl)acetohydrazide is sourced from PubChem (CID 57010527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).