2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde

C14H14N2O3 — CID 82444965

IUPAC2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
SMILESCCn1nc(-c2ccccc2OC)cc(C=O)c1=O
InChIInChI=1S/C14H14N2O3/c1-3-16-14(18)10(9-17)8-12(15-16)11-6-4-5-7-13(11)19-2/h4-9H,3H2,1-2H3
InChIKeyYVSJPKRYMXRNAG-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.75
Rot. Bonds4

About 2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde

2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde (PubChem CID 82444965) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
PubChem CID82444965
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
SMILESCCn1nc(-c2ccccc2OC)cc(C=O)c1=O
InChIInChI=1S/C14H14N2O3/c1-3-16-14(18)10(9-17)8-12(15-16)11-6-4-5-7-13(11)19-2/h4-9H,3H2,1-2H3
InChIKeyYVSJPKRYMXRNAG-UHFFFAOYSA-N
XLogP1.75
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.75
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 2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde?
The IUPAC name of 2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde (CID 82444965) is 2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde is CCn1nc(-c2ccccc2OC)cc(C=O)c1=O.
What is the InChIKey of 2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde?
The InChIKey is YVSJPKRYMXRNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-16-14(18)10(9-17)8-12(15-16)11-6-4-5-7-13(11)19-2/h4-9H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde?
2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde has a molecular weight of 258.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 82444965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).