5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide

C12H8BrN3O5 — CID 5121277

IUPAC5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)o1
InChIInChI=1S/C12H8BrN3O5/c13-10-6-5-9(21-10)12(18)15-14-11(17)7-3-1-2-4-8(7)16(19)20/h1-6H,(H,14,17)(H,15,18)
InChIKeyXSXNYEXJJDKBQQ-UHFFFAOYSA-N
MW354.12 g/mol
LogP2.03
Rot. Bonds3

About 5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide

5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide (PubChem CID 5121277) has the molecular formula C12H8BrN3O5 and a molecular weight of 354.12 g/mol. Its IUPAC name is 5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide
PubChem CID5121277
Molecular FormulaC12H8BrN3O5
Molecular Weight354.12 g/mol
Exact Mass352.96
IUPAC Name5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)o1
InChIInChI=1S/C12H8BrN3O5/c13-10-6-5-9(21-10)12(18)15-14-11(17)7-3-1-2-4-8(7)16(19)20/h1-6H,(H,14,17)(H,15,18)
InChIKeyXSXNYEXJJDKBQQ-UHFFFAOYSA-N
XLogP2.03
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2-nitrobenzoyl)amino]urea
CID 61061190
[(2-nitrobenzoyl)amino]thiourea
CID 65216747
(2-nitrophenyl) 5-bromofuran-2-carboxylate
CID 833292
N'-(2-bromopropanoyl)-2-nitrobenzohydrazide
CID 3809128
N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide
CID 26786259
N-[(4-bromophenyl)methyl]-2-nitrobenzamide
CID 60582772
N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide
CID 102603103
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
N'-tert-butyl-2-nitrobenzohydrazide
CID 15617770
N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3108599
N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide
CID 3127347
3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26813929

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide (CID 5121277) is 5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide is O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide?
The InChIKey is XSXNYEXJJDKBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O5/c13-10-6-5-9(21-10)12(18)15-14-11(17)7-3-1-2-4-8(7)16(19)20/h1-6H,(H,14,17)(H,15,18).
What are the key properties of 5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide?
5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide has a molecular weight of 354.12 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 5121277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).