4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde

C12H10N2O3 — CID 82421723

IUPAC4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde
SMILESCc1cccc(-n2nc(C=O)c(O)cc2=O)c1
InChIInChI=1S/C12H10N2O3/c1-8-3-2-4-9(5-8)14-12(17)6-11(16)10(7-15)13-14/h2-7,16H,1H3
InChIKeyYGOVJGXSTVLCNR-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.06
Rot. Bonds2

About 4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde

4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde (PubChem CID 82421723) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde
PubChem CID82421723
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde
SMILESCc1cccc(-n2nc(C=O)c(O)cc2=O)c1
InChIInChI=1S/C12H10N2O3/c1-8-3-2-4-9(5-8)14-12(17)6-11(16)10(7-15)13-14/h2-7,16H,1H3
InChIKeyYGOVJGXSTVLCNR-UHFFFAOYSA-N
XLogP1.06
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde
CID 82420214
6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one
CID 82421725
1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde
CID 82421819
1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde
CID 82420645
2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid
CID 108785094
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784993
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 108798228
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 108784965
2-hydroxy-5-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798252
2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]pentanedioic acid
CID 108785089
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 108785020
N-(3-butoxypropyl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784989

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde?
The IUPAC name of 4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde (CID 82421723) is 4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde.
What is the SMILES notation for 4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde?
The canonical SMILES for 4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde is Cc1cccc(-n2nc(C=O)c(O)cc2=O)c1.
What is the InChIKey of 4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde?
The InChIKey is YGOVJGXSTVLCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-8-3-2-4-9(5-8)14-12(17)6-11(16)10(7-15)13-14/h2-7,16H,1H3.
What are the key properties of 4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde?
4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde has a molecular weight of 230.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde is sourced from PubChem (CID 82421723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).