2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde

C10H11NO2 — CID 170476320

IUPAC2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1C=CCCO
InChIInChI=1S/C10H11NO2/c12-7-2-1-5-10-9(8-13)4-3-6-11-10/h1,3-6,8,12H,2,7H2
InChIKeySRLMEWUVAJLTCM-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.29
Rot. Bonds4

About 2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde

2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde (PubChem CID 170476320) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde
PubChem CID170476320
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1C=CCCO
InChIInChI=1S/C10H11NO2/c12-7-2-1-5-10-9(8-13)4-3-6-11-10/h1,3-6,8,12H,2,7H2
InChIKeySRLMEWUVAJLTCM-UHFFFAOYSA-N
XLogP1.29
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
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 2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde (CID 170476320) is 2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde is O=Cc1cccnc1C=CCCO.
What is the InChIKey of 2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde?
The InChIKey is SRLMEWUVAJLTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-7-2-1-5-10-9(8-13)4-3-6-11-10/h1,3-6,8,12H,2,7H2.
What are the key properties of 2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde?
2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde has a molecular weight of 177.20 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 170476320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).