6-ethenyl-5-methoxypyridine-2-carbaldehyde

C9H9NO2 — CID 74891018

IUPAC6-ethenyl-5-methoxypyridine-2-carbaldehyde
SMILESC=Cc1nc(C=O)ccc1OC
InChIInChI=1S/C9H9NO2/c1-3-8-9(12-2)5-4-7(6-11)10-8/h3-6H,1H2,2H3
InChIKeyQHJBDRYPCWQGGQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.55
Rot. Bonds3

About 6-ethenyl-5-methoxypyridine-2-carbaldehyde

6-ethenyl-5-methoxypyridine-2-carbaldehyde (PubChem CID 74891018) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 6-ethenyl-5-methoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-ethenyl-5-methoxypyridine-2-carbaldehyde
PubChem CID74891018
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name6-ethenyl-5-methoxypyridine-2-carbaldehyde
SMILESC=Cc1nc(C=O)ccc1OC
InChIInChI=1S/C9H9NO2/c1-3-8-9(12-2)5-4-7(6-11)10-8/h3-6H,1H2,2H3
InChIKeyQHJBDRYPCWQGGQ-UHFFFAOYSA-N
XLogP1.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethenyl-5-methoxypyridine-2-carbaldehyde?
The IUPAC name of 6-ethenyl-5-methoxypyridine-2-carbaldehyde (CID 74891018) is 6-ethenyl-5-methoxypyridine-2-carbaldehyde.
What is the SMILES notation for 6-ethenyl-5-methoxypyridine-2-carbaldehyde?
The canonical SMILES for 6-ethenyl-5-methoxypyridine-2-carbaldehyde is C=Cc1nc(C=O)ccc1OC.
What is the InChIKey of 6-ethenyl-5-methoxypyridine-2-carbaldehyde?
The InChIKey is QHJBDRYPCWQGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-3-8-9(12-2)5-4-7(6-11)10-8/h3-6H,1H2,2H3.
What are the key properties of 6-ethenyl-5-methoxypyridine-2-carbaldehyde?
6-ethenyl-5-methoxypyridine-2-carbaldehyde has a molecular weight of 163.18 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-methoxypyridine-2-carbaldehyde is sourced from PubChem (CID 74891018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).