1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde

C12H9ClN2O2 — CID 82419687

IUPAC1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde
SMILESCc1cc(=O)c(C=O)nn1-c1cccc(Cl)c1
InChIInChI=1S/C12H9ClN2O2/c1-8-5-12(17)11(7-16)14-15(8)10-4-2-3-9(13)6-10/h2-7H,1H3
InChIKeyGFUYGSGRLIHFMW-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.01
Rot. Bonds2

About 1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde

1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde (PubChem CID 82419687) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde
PubChem CID82419687
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde
SMILESCc1cc(=O)c(C=O)nn1-c1cccc(Cl)c1
InChIInChI=1S/C12H9ClN2O2/c1-8-5-12(17)11(7-16)14-15(8)10-4-2-3-9(13)6-10/h2-7H,1H3
InChIKeyGFUYGSGRLIHFMW-UHFFFAOYSA-N
XLogP2.01
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde?
The IUPAC name of 1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde (CID 82419687) is 1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde.
What is the SMILES notation for 1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde?
The canonical SMILES for 1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde is Cc1cc(=O)c(C=O)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde?
The InChIKey is GFUYGSGRLIHFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c1-8-5-12(17)11(7-16)14-15(8)10-4-2-3-9(13)6-10/h2-7H,1H3.
What are the key properties of 1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde?
1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde has a molecular weight of 248.67 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde is sourced from PubChem (CID 82419687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).