6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde

C14H13ClN2O3 — CID 82447606

IUPAC6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde
SMILESCOCCn1nc(-c2ccc(Cl)cc2)cc(C=O)c1=O
InChIInChI=1S/C14H13ClN2O3/c1-20-7-6-17-14(19)11(9-18)8-13(16-17)10-2-4-12(15)5-3-10/h2-5,8-9H,6-7H2,1H3
InChIKeyMFSDVSAQDQFCID-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.02
Rot. Bonds5

About 6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde

6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde (PubChem CID 82447606) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde
PubChem CID82447606
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde
SMILESCOCCn1nc(-c2ccc(Cl)cc2)cc(C=O)c1=O
InChIInChI=1S/C14H13ClN2O3/c1-20-7-6-17-14(19)11(9-18)8-13(16-17)10-2-4-12(15)5-3-10/h2-5,8-9H,6-7H2,1H3
InChIKeyMFSDVSAQDQFCID-UHFFFAOYSA-N
XLogP2.02
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde?
The IUPAC name of 6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde (CID 82447606) is 6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde is COCCn1nc(-c2ccc(Cl)cc2)cc(C=O)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde?
The InChIKey is MFSDVSAQDQFCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-20-7-6-17-14(19)11(9-18)8-13(16-17)10-2-4-12(15)5-3-10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde?
6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde has a molecular weight of 292.72 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 82447606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).