5-(cyclopropyloxymethyl)pyridine-2-carbaldehyde

C10H11NO2 — CID 141255274

IUPAC5-(cyclopropyloxymethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(COC2CC2)cn1
InChIInChI=1S/C10H11NO2/c12-6-9-2-1-8(5-11-9)7-13-10-3-4-10/h1-2,5-6,10H,3-4,7H2
InChIKeyYETMMFHCHHRLGX-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.57
Rot. Bonds4

About 5-(cyclopropyloxymethyl)pyridine-2-carbaldehyde

5-(cyclopropyloxymethyl)pyridine-2-carbaldehyde (PubChem CID 141255274) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-(cyclopropyloxymethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(cyclopropyloxymethyl)pyridine-2-carbaldehyde
PubChem CID141255274
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-(cyclopropyloxymethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(COC2CC2)cn1
InChIInChI=1S/C10H11NO2/c12-6-9-2-1-8(5-11-9)7-13-10-3-4-10/h1-2,5-6,10H,3-4,7H2
InChIKeyYETMMFHCHHRLGX-UHFFFAOYSA-N
XLogP1.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.57
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-(cyclopropyloxymethyl)pyridine-2-carbaldehyde?
The IUPAC name of 5-(cyclopropyloxymethyl)pyridine-2-carbaldehyde (CID 141255274) is 5-(cyclopropyloxymethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(cyclopropyloxymethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(cyclopropyloxymethyl)pyridine-2-carbaldehyde is O=Cc1ccc(COC2CC2)cn1.
What is the InChIKey of 5-(cyclopropyloxymethyl)pyridine-2-carbaldehyde?
The InChIKey is YETMMFHCHHRLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-9-2-1-8(5-11-9)7-13-10-3-4-10/h1-2,5-6,10H,3-4,7H2.
What are the key properties of 5-(cyclopropyloxymethyl)pyridine-2-carbaldehyde?
5-(cyclopropyloxymethyl)pyridine-2-carbaldehyde has a molecular weight of 177.20 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropyloxymethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 141255274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).