5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

C13H13ClN4O3 — CID 136786987

IUPAC5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCCOc1cccc(/C=N\Nc2cn[nH]c(=O)c2Cl)c1O
InChIInChI=1S/C13H13ClN4O3/c1-2-21-10-5-3-4-8(12(10)19)6-15-17-9-7-16-18-13(20)11(9)14/h3-7,19H,2H2,1H3,(H2,17,18,20)/b15-6-
InChIKeyBISGWTYIBMXOLH-UUASQNMZSA-N
MW308.73 g/mol
LogP1.97
Rot. Bonds5

About 5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 136786987) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is 5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID136786987
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC Name5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCCOc1cccc(/C=N\Nc2cn[nH]c(=O)c2Cl)c1O
InChIInChI=1S/C13H13ClN4O3/c1-2-21-10-5-3-4-8(12(10)19)6-15-17-9-7-16-18-13(20)11(9)14/h3-7,19H,2H2,1H3,(H2,17,18,20)/b15-6-
InChIKeyBISGWTYIBMXOLH-UUASQNMZSA-N
XLogP1.97
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538082
5-chloro-4-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110338557
5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509803
5-chloro-4-[(2Z)-2-[(2-chloro-3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509828
5-chloro-4-[(2Z)-2-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509757
5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509824
4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 136926282
5-chloro-4-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538073
5-chloro-4-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790362
5-chloro-4-[(2E)-2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110338972
5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7745615
5-chloro-4-[(2E)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135689804

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 136786987) is 5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is CCOc1cccc(/C=N\Nc2cn[nH]c(=O)c2Cl)c1O.
What is the InChIKey of 5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is BISGWTYIBMXOLH-UUASQNMZSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c1-2-21-10-5-3-4-8(12(10)19)6-15-17-9-7-16-18-13(20)11(9)14/h3-7,19H,2H2,1H3,(H2,17,18,20)/b15-6-.
What are the key properties of 5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 308.73 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 136786987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).