3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide

C12H8Cl2N4O4 — CID 13456256

IUPAC3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)nnc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8Cl2N4O4/c1-22-6-2-3-8(9(4-6)18(20)21)15-12(19)7-5-10(13)16-17-11(7)14/h2-5H,1H3,(H,15,19)
InChIKeyZFFWHYRDXHTOPV-UHFFFAOYSA-N
MW343.13 g/mol
LogP2.95
Rot. Bonds4

About 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide

3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide (PubChem CID 13456256) has the molecular formula C12H8Cl2N4O4 and a molecular weight of 343.13 g/mol. Its IUPAC name is 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide
PubChem CID13456256
Molecular FormulaC12H8Cl2N4O4
Molecular Weight343.13 g/mol
Exact Mass341.99
IUPAC Name3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)nnc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8Cl2N4O4/c1-22-6-2-3-8(9(4-6)18(20)21)15-12(19)7-5-10(13)16-17-11(7)14/h2-5H,1H3,(H,15,19)
InChIKeyZFFWHYRDXHTOPV-UHFFFAOYSA-N
XLogP2.95
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide (CID 13456256) is 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide is COc1ccc(NC(=O)c2cc(Cl)nnc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide?
The InChIKey is ZFFWHYRDXHTOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4O4/c1-22-6-2-3-8(9(4-6)18(20)21)15-12(19)7-5-10(13)16-17-11(7)14/h2-5H,1H3,(H,15,19).
What are the key properties of 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide?
3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide has a molecular weight of 343.13 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 13456256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).