2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide

C11H9ClN4O2 — CID 136792800

IUPAC2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide
SMILESNc1ccc(O)cc1C(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C11H9ClN4O2/c12-9-3-4-10(16-15-9)14-11(18)7-5-6(17)1-2-8(7)13/h1-5,17H,13H2,(H,14,16,18)
InChIKeyMDVCYLOKONZLII-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.67
Rot. Bonds2

About 2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide

2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide (PubChem CID 136792800) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide
PubChem CID136792800
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide
SMILESNc1ccc(O)cc1C(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C11H9ClN4O2/c12-9-3-4-10(16-15-9)14-11(18)7-5-6(17)1-2-8(7)13/h1-5,17H,13H2,(H,14,16,18)
InChIKeyMDVCYLOKONZLII-UHFFFAOYSA-N
XLogP1.67
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide
CID 114049171
2-amino-N-(2,4-dichlorophenyl)-5-hydroxybenzamide
CID 107073840
3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide
CID 113230922
4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide
CID 115624460
N-(4-acetamidophenyl)-2-amino-5-hydroxybenzamide
CID 107073912
5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide
CID 113235172
N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide
CID 115608616
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide
CID 107075978
2-amino-N-(2-chloro-4-fluorophenyl)-5-hydroxybenzamide
CID 107073989
2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide
CID 107075793
N-(6-chloropyridazin-3-yl)benzamide
CID 13125576
4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide
CID 115686692

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide (CID 136792800) is 2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide is Nc1ccc(O)cc1C(=O)Nc1ccc(Cl)nn1.
What is the InChIKey of 2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide?
The InChIKey is MDVCYLOKONZLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-9-3-4-10(16-15-9)14-11(18)7-5-6(17)1-2-8(7)13/h1-5,17H,13H2,(H,14,16,18).
What are the key properties of 2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide?
2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide has a molecular weight of 264.67 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide is sourced from PubChem (CID 136792800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).