6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide

C11H8BrN5O3 — CID 79767632

IUPAC6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)nn1
InChIInChI=1S/C11H8BrN5O3/c12-7-2-1-6(5-9(7)17(19)20)14-11(18)8-3-4-10(13)16-15-8/h1-5H,(H2,13,16)(H,14,18)
InChIKeyVJZBPDTXOSDGJN-UHFFFAOYSA-N
MW338.12 g/mol
LogP1.98
Rot. Bonds3

About 6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide

6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide (PubChem CID 79767632) has the molecular formula C11H8BrN5O3 and a molecular weight of 338.12 g/mol. Its IUPAC name is 6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide
PubChem CID79767632
Molecular FormulaC11H8BrN5O3
Molecular Weight338.12 g/mol
Exact Mass336.98
IUPAC Name6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)nn1
InChIInChI=1S/C11H8BrN5O3/c12-7-2-1-6(5-9(7)17(19)20)14-11(18)8-3-4-10(13)16-15-8/h1-5H,(H2,13,16)(H,14,18)
InChIKeyVJZBPDTXOSDGJN-UHFFFAOYSA-N
XLogP1.98
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide
CID 62185978
N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641755
6-amino-N-(2-bromo-4-nitrophenyl)pyridazine-3-carboxamide
CID 107810243
5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide
CID 82865202
2-amino-N-(4-bromo-3-nitrophenyl)pyridine-3-carboxamide
CID 79767789
6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide
CID 61040906
4-bromo-N-(4-carbamoylphenyl)-3-nitrobenzamide
CID 26636179
methyl N-(4-bromo-3-nitrophenyl)carbamate
CID 116656693
N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 79760195
N-(4-bromo-3-nitrophenyl)-2-chloropropanamide
CID 79768319
6-amino-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 62155228
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide (CID 79767632) is 6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide is Nc1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)nn1.
What is the InChIKey of 6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide?
The InChIKey is VJZBPDTXOSDGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O3/c12-7-2-1-6(5-9(7)17(19)20)14-11(18)8-3-4-10(13)16-15-8/h1-5H,(H2,13,16)(H,14,18).
What are the key properties of 6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide?
6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide has a molecular weight of 338.12 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 79767632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).