5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one

C12H10BrClN4O2 — CID 136787482

IUPAC5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(N/N=C\c2ccc(O)c(Br)c2)c(Cl)c1=O
InChIInChI=1S/C12H10BrClN4O2/c1-18-12(20)11(14)9(6-16-18)17-15-5-7-2-3-10(19)8(13)4-7/h2-6,17,19H,1H3/b15-5-
InChIKeyQIZMYEAYCAMMRL-WCSRMQSCSA-N
MW357.60 g/mol
LogP2.35
Rot. Bonds3

About 5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one

5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one (PubChem CID 136787482) has the molecular formula C12H10BrClN4O2 and a molecular weight of 357.60 g/mol. Its IUPAC name is 5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
PubChem CID136787482
Molecular FormulaC12H10BrClN4O2
Molecular Weight357.60 g/mol
Exact Mass355.97
IUPAC Name5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(N/N=C\c2ccc(O)c(Br)c2)c(Cl)c1=O
InChIInChI=1S/C12H10BrClN4O2/c1-18-12(20)11(14)9(6-16-18)17-15-5-7-2-3-10(19)8(13)4-7/h2-6,17,19H,1H3/b15-5-
InChIKeyQIZMYEAYCAMMRL-WCSRMQSCSA-N
XLogP2.35
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.60
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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 5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one (CID 136787482) is 5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one is Cn1ncc(N/N=C\c2ccc(O)c(Br)c2)c(Cl)c1=O.
What is the InChIKey of 5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one?
The InChIKey is QIZMYEAYCAMMRL-WCSRMQSCSA-N. The full InChI is InChI=1S/C12H10BrClN4O2/c1-18-12(20)11(14)9(6-16-18)17-15-5-7-2-3-10(19)8(13)4-7/h2-6,17,19H,1H3/b15-5-.
What are the key properties of 5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one?
5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one has a molecular weight of 357.60 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 136787482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).