N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide

C11H9BrN6O3 — CID 115937226

IUPACN-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide
SMILESNNc1c(C(=O)Nc2cnc(Br)cn2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H9BrN6O3/c12-8-4-15-9(5-14-8)16-11(19)6-2-1-3-7(18(20)21)10(6)17-13/h1-5,17H,13H2,(H,15,16,19)
InChIKeyJNULGWZWUJIHCG-UHFFFAOYSA-N
MW353.14 g/mol
LogP1.69
Rot. Bonds4

About N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide

N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide (PubChem CID 115937226) has the molecular formula C11H9BrN6O3 and a molecular weight of 353.14 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide
PubChem CID115937226
Molecular FormulaC11H9BrN6O3
Molecular Weight353.14 g/mol
Exact Mass351.99
IUPAC NameN-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide
SMILESNNc1c(C(=O)Nc2cnc(Br)cn2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H9BrN6O3/c12-8-4-15-9(5-14-8)16-11(19)6-2-1-3-7(18(20)21)10(6)17-13/h1-5,17H,13H2,(H,15,16,19)
InChIKeyJNULGWZWUJIHCG-UHFFFAOYSA-N
XLogP1.69
TPSA136.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.14
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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

2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide
CID 115937008
3-amino-N-(5-bromopyrazin-2-yl)-2-nitrobenzamide
CID 115549218
N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide
CID 107076134
2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide
CID 113355013
2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 115937021
2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide
CID 114914479
2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide
CID 112580702
N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide
CID 137001059
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide
CID 115937216
2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
CID 106331395
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide
CID 79733435

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide (CID 115937226) is N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide is NNc1c(C(=O)Nc2cnc(Br)cn2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide?
The InChIKey is JNULGWZWUJIHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN6O3/c12-8-4-15-9(5-14-8)16-11(19)6-2-1-3-7(18(20)21)10(6)17-13/h1-5,17H,13H2,(H,15,16,19).
What are the key properties of N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide?
N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide has a molecular weight of 353.14 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide is sourced from PubChem (CID 115937226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).