N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide

C12H9BrN4O3 — CID 136851970

IUPACN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N/N=C\c1cc(Br)ccc1O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H9BrN4O3/c13-8-1-3-10(18)7(5-8)6-14-17-12(20)9-2-4-11(19)16-15-9/h1-6,18H,(H,16,19)(H,17,20)/b14-6-
InChIKeyGNCWWPJNYSIOLA-NSIKDUERSA-N
MW337.13 g/mol
LogP1.00
Rot. Bonds3

About N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide

N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 136851970) has the molecular formula C12H9BrN4O3 and a molecular weight of 337.13 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID136851970
Molecular FormulaC12H9BrN4O3
Molecular Weight337.13 g/mol
Exact Mass335.99
IUPAC NameN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N/N=C\c1cc(Br)ccc1O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H9BrN4O3/c13-8-1-3-10(18)7(5-8)6-14-17-12(20)9-2-4-11(19)16-15-9/h1-6,18H,(H,16,19)(H,17,20)/b14-6-
InChIKeyGNCWWPJNYSIOLA-NSIKDUERSA-N
XLogP1.00
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (CID 136851970) is N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is O=C(N/N=C\c1cc(Br)ccc1O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is GNCWWPJNYSIOLA-NSIKDUERSA-N. The full InChI is InChI=1S/C12H9BrN4O3/c13-8-1-3-10(18)7(5-8)6-14-17-12(20)9-2-4-11(19)16-15-9/h1-6,18H,(H,16,19)(H,17,20)/b14-6-.
What are the key properties of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 337.13 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 136851970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).