5-methoxypyridine-3-carbaldehyde

C7H7NO2 — CID 10975549

IUPAC5-methoxypyridine-3-carbaldehyde
SMILESCOc1cncc(C=O)c1
InChIInChI=1S/C7H7NO2/c1-10-7-2-6(5-9)3-8-4-7/h2-5H,1H3
InChIKeyYOVIXSRXKCZJRN-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.90
Rot. Bonds2

About 5-methoxypyridine-3-carbaldehyde

5-methoxypyridine-3-carbaldehyde (PubChem CID 10975549) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 5-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methoxypyridine-3-carbaldehyde
PubChem CID10975549
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name5-methoxypyridine-3-carbaldehyde
SMILESCOc1cncc(C=O)c1
InChIInChI=1S/C7H7NO2/c1-10-7-2-6(5-9)3-8-4-7/h2-5H,1H3
InChIKeyYOVIXSRXKCZJRN-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 5-methoxypyridine-3-carbaldehyde?
The IUPAC name of 5-methoxypyridine-3-carbaldehyde (CID 10975549) is 5-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 5-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 5-methoxypyridine-3-carbaldehyde is COc1cncc(C=O)c1.
What is the InChIKey of 5-methoxypyridine-3-carbaldehyde?
The InChIKey is YOVIXSRXKCZJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-10-7-2-6(5-9)3-8-4-7/h2-5H,1H3.
What are the key properties of 5-methoxypyridine-3-carbaldehyde?
5-methoxypyridine-3-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 5-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 10975549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).