2-(3-bromo-4-nitroindazol-1-yl)acetohydrazide

C9H8BrN5O3 — CID 67259880

IUPAC2-(3-bromo-4-nitroindazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1nc(Br)c2c([N+](=O)[O-])cccc21
InChIInChI=1S/C9H8BrN5O3/c10-9-8-5(2-1-3-6(8)15(17)18)14(13-9)4-7(16)12-11/h1-3H,4,11H2,(H,12,16)
InChIKeyRFGKZNWLASHKHH-UHFFFAOYSA-N
MW314.10 g/mol
LogP0.70
Rot. Bonds3

About 2-(3-bromo-4-nitroindazol-1-yl)acetohydrazide

2-(3-bromo-4-nitroindazol-1-yl)acetohydrazide (PubChem CID 67259880) has the molecular formula C9H8BrN5O3 and a molecular weight of 314.10 g/mol. Its IUPAC name is 2-(3-bromo-4-nitroindazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-bromo-4-nitroindazol-1-yl)acetohydrazide
PubChem CID67259880
Molecular FormulaC9H8BrN5O3
Molecular Weight314.10 g/mol
Exact Mass312.98
IUPAC Name2-(3-bromo-4-nitroindazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1nc(Br)c2c([N+](=O)[O-])cccc21
InChIInChI=1S/C9H8BrN5O3/c10-9-8-5(2-1-3-6(8)15(17)18)14(13-9)4-7(16)12-11/h1-3H,4,11H2,(H,12,16)
InChIKeyRFGKZNWLASHKHH-UHFFFAOYSA-N
XLogP0.70
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.10
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

ethyl 2-(3-bromo-4-nitroindazol-1-yl)acetate
CID 67261176
1-benzyl-3-bromo-4-nitroindazole
CID 67261440
3-bromo-1-[(1-ethylpyrazol-3-yl)methyl]-4-nitroindazole
CID 67261156
3-bromo-1-[(6-butyl-2-pyridinyl)methyl]-4-nitroindazole
CID 174692778
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
1-benzyl-3-iodo-4-nitroindazole
CID 67259890
2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-phenylacetamide
CID 555265
2-(4-nitrobenzotriazol-1-yl)acetic acid
CID 7028543
2-(4-bromo-2-nitrophenyl)acetohydrazide
CID 57010527
ethyl 4-nitro-3-oxo-2H-indazole-1-carboxylate
CID 19805529
N,1-dimethyl-4-nitroindazol-3-amine
CID 12649187
3-chloro-4-nitro-1-[[(2R)-oxiran-2-yl]methyl]indazole
CID 99868003

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-nitroindazol-1-yl)acetohydrazide?
The IUPAC name of 2-(3-bromo-4-nitroindazol-1-yl)acetohydrazide (CID 67259880) is 2-(3-bromo-4-nitroindazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(3-bromo-4-nitroindazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(3-bromo-4-nitroindazol-1-yl)acetohydrazide is NNC(=O)Cn1nc(Br)c2c([N+](=O)[O-])cccc21.
What is the InChIKey of 2-(3-bromo-4-nitroindazol-1-yl)acetohydrazide?
The InChIKey is RFGKZNWLASHKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5O3/c10-9-8-5(2-1-3-6(8)15(17)18)14(13-9)4-7(16)12-11/h1-3H,4,11H2,(H,12,16).
What are the key properties of 2-(3-bromo-4-nitroindazol-1-yl)acetohydrazide?
2-(3-bromo-4-nitroindazol-1-yl)acetohydrazide has a molecular weight of 314.10 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-nitroindazol-1-yl)acetohydrazide is sourced from PubChem (CID 67259880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).