3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide

C11H6Cl2N4O4 — CID 136812224

IUPAC3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C11H6Cl2N4O4/c12-9-4-6(10(13)16-15-9)11(19)14-7-3-5(17(20)21)1-2-8(7)18/h1-4,18H,(H,14,19)
InChIKeyLAORBHJYSSUPLB-UHFFFAOYSA-N
MW329.10 g/mol
LogP2.65
Rot. Bonds3

About 3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide

3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide (PubChem CID 136812224) has the molecular formula C11H6Cl2N4O4 and a molecular weight of 329.10 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide
PubChem CID136812224
Molecular FormulaC11H6Cl2N4O4
Molecular Weight329.10 g/mol
Exact Mass327.98
IUPAC Name3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C11H6Cl2N4O4/c12-9-4-6(10(13)16-15-9)11(19)14-7-3-5(17(20)21)1-2-8(7)18/h1-4,18H,(H,14,19)
InChIKeyLAORBHJYSSUPLB-UHFFFAOYSA-N
XLogP2.65
TPSA118.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863256
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide
CID 106509889
3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide
CID 87380086
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233
N-(2-hydroxy-5-nitrophenyl)-2-methylpyridine-3-carboxamide
CID 103863225
N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
CID 103863236
2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide
CID 165355321
4-chloro-N-(2-hydroxy-5-nitrophenyl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135803794
5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 828117
N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide
CID 103894392
3-amino-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744509

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide (CID 136812224) is 3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide?
The InChIKey is LAORBHJYSSUPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4O4/c12-9-4-6(10(13)16-15-9)11(19)14-7-3-5(17(20)21)1-2-8(7)18/h1-4,18H,(H,14,19).
What are the key properties of 3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide?
3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide has a molecular weight of 329.10 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 136812224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).