N'-(4-bromophenyl)-1-nitroformohydrazide

C7H6BrN3O3 — CID 17088509

IUPACN'-(4-bromophenyl)-1-nitroformohydrazide
SMILESO=C(NNc1ccc(Br)cc1)[N+](=O)[O-]
InChIInChI=1S/C7H6BrN3O3/c8-5-1-3-6(4-2-5)9-10-7(12)11(13)14/h1-4,9H,(H,10,12)
InChIKeyMHOKVUHFHADQNU-UHFFFAOYSA-N
MW260.05 g/mol
LogP1.76
Rot. Bonds2

About N'-(4-bromophenyl)-1-nitroformohydrazide

N'-(4-bromophenyl)-1-nitroformohydrazide (PubChem CID 17088509) has the molecular formula C7H6BrN3O3 and a molecular weight of 260.05 g/mol. Its IUPAC name is N'-(4-bromophenyl)-1-nitroformohydrazide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-1-nitroformohydrazide
PubChem CID17088509
Molecular FormulaC7H6BrN3O3
Molecular Weight260.05 g/mol
Exact Mass258.96
IUPAC NameN'-(4-bromophenyl)-1-nitroformohydrazide
SMILESO=C(NNc1ccc(Br)cc1)[N+](=O)[O-]
InChIInChI=1S/C7H6BrN3O3/c8-5-1-3-6(4-2-5)9-10-7(12)11(13)14/h1-4,9H,(H,10,12)
InChIKeyMHOKVUHFHADQNU-UHFFFAOYSA-N
XLogP1.76
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.05
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-1-nitroformohydrazide?
The IUPAC name of N'-(4-bromophenyl)-1-nitroformohydrazide (CID 17088509) is N'-(4-bromophenyl)-1-nitroformohydrazide.
What is the SMILES notation for N'-(4-bromophenyl)-1-nitroformohydrazide?
The canonical SMILES for N'-(4-bromophenyl)-1-nitroformohydrazide is O=C(NNc1ccc(Br)cc1)[N+](=O)[O-].
What is the InChIKey of N'-(4-bromophenyl)-1-nitroformohydrazide?
The InChIKey is MHOKVUHFHADQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O3/c8-5-1-3-6(4-2-5)9-10-7(12)11(13)14/h1-4,9H,(H,10,12).
What are the key properties of N'-(4-bromophenyl)-1-nitroformohydrazide?
N'-(4-bromophenyl)-1-nitroformohydrazide has a molecular weight of 260.05 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-1-nitroformohydrazide is sourced from PubChem (CID 17088509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).