6-(2-hydroxyethoxy)pyridine-3-carbaldehyde

C8H9NO3 — CID 59278605

IUPAC6-(2-hydroxyethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCCO)nc1
InChIInChI=1S/C8H9NO3/c10-3-4-12-8-2-1-7(6-11)5-9-8/h1-2,5-6,10H,3-4H2
InChIKeyJKVDEQIUVMTXNC-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.27
Rot. Bonds4

About 6-(2-hydroxyethoxy)pyridine-3-carbaldehyde

6-(2-hydroxyethoxy)pyridine-3-carbaldehyde (PubChem CID 59278605) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 6-(2-hydroxyethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2-hydroxyethoxy)pyridine-3-carbaldehyde
PubChem CID59278605
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name6-(2-hydroxyethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCCO)nc1
InChIInChI=1S/C8H9NO3/c10-3-4-12-8-2-1-7(6-11)5-9-8/h1-2,5-6,10H,3-4H2
InChIKeyJKVDEQIUVMTXNC-UHFFFAOYSA-N
XLogP0.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-hydroxyethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-(2-hydroxyethoxy)pyridine-3-carbaldehyde (CID 59278605) is 6-(2-hydroxyethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(2-hydroxyethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(2-hydroxyethoxy)pyridine-3-carbaldehyde is O=Cc1ccc(OCCO)nc1.
What is the InChIKey of 6-(2-hydroxyethoxy)pyridine-3-carbaldehyde?
The InChIKey is JKVDEQIUVMTXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-3-4-12-8-2-1-7(6-11)5-9-8/h1-2,5-6,10H,3-4H2.
What are the key properties of 6-(2-hydroxyethoxy)pyridine-3-carbaldehyde?
6-(2-hydroxyethoxy)pyridine-3-carbaldehyde has a molecular weight of 167.16 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 59278605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).