3-methoxypyridine-2-carbaldehyde

C7H7NO2 — CID 5324772

IUPAC3-methoxypyridine-2-carbaldehyde
SMILESCOc1cccnc1C=O
InChIInChI=1S/C7H7NO2/c1-10-7-3-2-4-8-6(7)5-9/h2-5H,1H3
InChIKeyGHKILJGWQPBQGL-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.90
Rot. Bonds2

About 3-methoxypyridine-2-carbaldehyde

3-methoxypyridine-2-carbaldehyde (PubChem CID 5324772) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 3-methoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-methoxypyridine-2-carbaldehyde
PubChem CID5324772
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name3-methoxypyridine-2-carbaldehyde
SMILESCOc1cccnc1C=O
InChIInChI=1S/C7H7NO2/c1-10-7-3-2-4-8-6(7)5-9/h2-5H,1H3
InChIKeyGHKILJGWQPBQGL-UHFFFAOYSA-N
XLogP0.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.90
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 3-methoxypyridine-2-carbaldehyde?
The IUPAC name of 3-methoxypyridine-2-carbaldehyde (CID 5324772) is 3-methoxypyridine-2-carbaldehyde.
What is the SMILES notation for 3-methoxypyridine-2-carbaldehyde?
The canonical SMILES for 3-methoxypyridine-2-carbaldehyde is COc1cccnc1C=O.
What is the InChIKey of 3-methoxypyridine-2-carbaldehyde?
The InChIKey is GHKILJGWQPBQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-10-7-3-2-4-8-6(7)5-9/h2-5H,1H3.
What are the key properties of 3-methoxypyridine-2-carbaldehyde?
3-methoxypyridine-2-carbaldehyde has a molecular weight of 137.14 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypyridine-2-carbaldehyde is sourced from PubChem (CID 5324772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).