2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde

C10H8N4O2 — CID 103375163

IUPAC2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde
SMILESCOc1ccc(-c2ncc(C=O)cn2)nn1
InChIInChI=1S/C10H8N4O2/c1-16-9-3-2-8(13-14-9)10-11-4-7(6-15)5-12-10/h2-6H,1H3
InChIKeySCBAODQOVZWFEN-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.75
Rot. Bonds3

About 2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde

2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde (PubChem CID 103375163) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde
PubChem CID103375163
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde
SMILESCOc1ccc(-c2ncc(C=O)cn2)nn1
InChIInChI=1S/C10H8N4O2/c1-16-9-3-2-8(13-14-9)10-11-4-7(6-15)5-12-10/h2-6H,1H3
InChIKeySCBAODQOVZWFEN-UHFFFAOYSA-N
XLogP0.75
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde (CID 103375163) is 2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde is COc1ccc(-c2ncc(C=O)cn2)nn1.
What is the InChIKey of 2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde?
The InChIKey is SCBAODQOVZWFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c1-16-9-3-2-8(13-14-9)10-11-4-7(6-15)5-12-10/h2-6H,1H3.
What are the key properties of 2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde?
2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde has a molecular weight of 216.20 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 103375163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).