6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide

C11H6Cl2N4O3 — CID 61040906

IUPAC6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)nn1
InChIInChI=1S/C11H6Cl2N4O3/c12-7-2-1-6(5-9(7)17(19)20)14-11(18)8-3-4-10(13)16-15-8/h1-5H,(H,14,18)
InChIKeyGJUFLSBPNZCXSX-UHFFFAOYSA-N
MW313.10 g/mol
LogP2.94
Rot. Bonds3

About 6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide

6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide (PubChem CID 61040906) has the molecular formula C11H6Cl2N4O3 and a molecular weight of 313.10 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide
PubChem CID61040906
Molecular FormulaC11H6Cl2N4O3
Molecular Weight313.10 g/mol
Exact Mass311.98
IUPAC Name6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)nn1
InChIInChI=1S/C11H6Cl2N4O3/c12-7-2-1-6(5-9(7)17(19)20)14-11(18)8-3-4-10(13)16-15-8/h1-5H,(H,14,18)
InChIKeyGJUFLSBPNZCXSX-UHFFFAOYSA-N
XLogP2.94
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 52.94
H-Bond Donors ≤ 51
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

6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
CID 54926951
6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide
CID 61042452
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide
CID 103145316
N-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107812143
N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide
CID 107812142
6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide
CID 79767632
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770
3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 103221361
2-chloro-N-(4-chloro-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4626962

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide (CID 61040906) is 6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide?
The InChIKey is GJUFLSBPNZCXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4O3/c12-7-2-1-6(5-9(7)17(19)20)14-11(18)8-3-4-10(13)16-15-8/h1-5H,(H,14,18).
What are the key properties of 6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide?
6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide has a molecular weight of 313.10 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 61040906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).