5-(cyclopropylmethoxy)pyridine-2-carbaldehyde

C10H11NO2 — CID 79793773

IUPAC5-(cyclopropylmethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCC2CC2)cn1
InChIInChI=1S/C10H11NO2/c12-6-9-3-4-10(5-11-9)13-7-8-1-2-8/h3-6,8H,1-2,7H2
InChIKeyXHELRKTWQYMJJH-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.68
Rot. Bonds4

About 5-(cyclopropylmethoxy)pyridine-2-carbaldehyde

5-(cyclopropylmethoxy)pyridine-2-carbaldehyde (PubChem CID 79793773) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)pyridine-2-carbaldehyde
PubChem CID79793773
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-(cyclopropylmethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCC2CC2)cn1
InChIInChI=1S/C10H11NO2/c12-6-9-3-4-10(5-11-9)13-7-8-1-2-8/h3-6,8H,1-2,7H2
InChIKeyXHELRKTWQYMJJH-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
CID 57475854
5-Hydroxy-2-pyridinecarboxaldehyde
CID 278389
5-(Benzyloxy)pyridine-2-carboxylic acid
CID 18379352
3-Methoxypyridine-2-carbaldehyde
CID 5324772
4-(Pyridin-2-ylmethoxy)benzaldehyde
CID 759667
(2E)-3-(furan-2-yl)-1-(pyridin-2-yl)prop-2-en-1-one
CID 5854189
5-Butoxypicolinic acid
CID 173872
3-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
CID 57475879
Methyl 4-methoxypyridine-2-carboxylate
CID 1519345
5-Propoxypyridine-2-carboxylic acid
CID 12919808
5-(Cyclopropylmethoxy)pyridine-2-carboxylic acid
CID 66691895
Synthesis of (E)-5-((2-(aminomethyl)-3-fluoroallyl)oxy)-N,N-diethylpicolinamide
CID 138669975

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 5-(cyclopropylmethoxy)pyridine-2-carbaldehyde (CID 79793773) is 5-(cyclopropylmethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(cyclopropylmethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(cyclopropylmethoxy)pyridine-2-carbaldehyde is O=Cc1ccc(OCC2CC2)cn1.
What is the InChIKey of 5-(cyclopropylmethoxy)pyridine-2-carbaldehyde?
The InChIKey is XHELRKTWQYMJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-9-3-4-10(5-11-9)13-7-8-1-2-8/h3-6,8H,1-2,7H2.
What are the key properties of 5-(cyclopropylmethoxy)pyridine-2-carbaldehyde?
5-(cyclopropylmethoxy)pyridine-2-carbaldehyde has a molecular weight of 177.20 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 79793773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).