5-methoxypyridazine-4-carbaldehyde

C6H6N2O2 — CID 167773624

IUPAC5-methoxypyridazine-4-carbaldehyde
SMILESCOc1cnncc1C=O
InChIInChI=1S/C6H6N2O2/c1-10-6-3-8-7-2-5(6)4-9/h2-4H,1H3
InChIKeyBDIYPMKAECDNON-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.30
Rot. Bonds2

About 5-methoxypyridazine-4-carbaldehyde

5-methoxypyridazine-4-carbaldehyde (PubChem CID 167773624) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 5-methoxypyridazine-4-carbaldehyde.

Molecular Properties

Compound Name5-methoxypyridazine-4-carbaldehyde
PubChem CID167773624
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name5-methoxypyridazine-4-carbaldehyde
SMILESCOc1cnncc1C=O
InChIInChI=1S/C6H6N2O2/c1-10-6-3-8-7-2-5(6)4-9/h2-4H,1H3
InChIKeyBDIYPMKAECDNON-UHFFFAOYSA-N
XLogP0.30
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pyridazine-4,5-dicarbaldehyde
CID 19933063
6-amino-4-methoxypyridine-3-carbaldehyde
CID 168943047
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
3-fluoro-2,4,5-trimethoxybenzaldehyde
CID 117275489
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
5-methoxy-2,1,3-benzoxadiazole-6-carbaldehyde
CID 82410218
3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
2-[2-(2-methoxyphenyl)ethynyl]benzaldehyde
CID 25215814
6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde
CID 149111121

Frequently Asked Questions

What is the IUPAC name of 5-methoxypyridazine-4-carbaldehyde?
The IUPAC name of 5-methoxypyridazine-4-carbaldehyde (CID 167773624) is 5-methoxypyridazine-4-carbaldehyde.
What is the SMILES notation for 5-methoxypyridazine-4-carbaldehyde?
The canonical SMILES for 5-methoxypyridazine-4-carbaldehyde is COc1cnncc1C=O.
What is the InChIKey of 5-methoxypyridazine-4-carbaldehyde?
The InChIKey is BDIYPMKAECDNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-10-6-3-8-7-2-5(6)4-9/h2-4H,1H3.
What are the key properties of 5-methoxypyridazine-4-carbaldehyde?
5-methoxypyridazine-4-carbaldehyde has a molecular weight of 138.13 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypyridazine-4-carbaldehyde is sourced from PubChem (CID 167773624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).