5-(2-hydroxyethyl)-4,6-dimethylpyridine-2,3-dicarbaldehyde

C11H13NO3 — CID 58461542

IUPAC5-(2-hydroxyethyl)-4,6-dimethylpyridine-2,3-dicarbaldehyde
SMILESCc1nc(C=O)c(C=O)c(C)c1CCO
InChIInChI=1S/C11H13NO3/c1-7-9(3-4-13)8(2)12-11(6-15)10(7)5-14/h5-6,13H,3-4H2,1-2H3
InChIKeySNACVKHVANMYRE-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.86
Rot. Bonds4

About 5-(2-hydroxyethyl)-4,6-dimethylpyridine-2,3-dicarbaldehyde

5-(2-hydroxyethyl)-4,6-dimethylpyridine-2,3-dicarbaldehyde (PubChem CID 58461542) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-4,6-dimethylpyridine-2,3-dicarbaldehyde.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-4,6-dimethylpyridine-2,3-dicarbaldehyde
PubChem CID58461542
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-(2-hydroxyethyl)-4,6-dimethylpyridine-2,3-dicarbaldehyde
SMILESCc1nc(C=O)c(C=O)c(C)c1CCO
InChIInChI=1S/C11H13NO3/c1-7-9(3-4-13)8(2)12-11(6-15)10(7)5-14/h5-6,13H,3-4H2,1-2H3
InChIKeySNACVKHVANMYRE-UHFFFAOYSA-N
XLogP0.86
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.86
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 5-(2-hydroxyethyl)-4,6-dimethylpyridine-2,3-dicarbaldehyde?
The IUPAC name of 5-(2-hydroxyethyl)-4,6-dimethylpyridine-2,3-dicarbaldehyde (CID 58461542) is 5-(2-hydroxyethyl)-4,6-dimethylpyridine-2,3-dicarbaldehyde.
What is the SMILES notation for 5-(2-hydroxyethyl)-4,6-dimethylpyridine-2,3-dicarbaldehyde?
The canonical SMILES for 5-(2-hydroxyethyl)-4,6-dimethylpyridine-2,3-dicarbaldehyde is Cc1nc(C=O)c(C=O)c(C)c1CCO.
What is the InChIKey of 5-(2-hydroxyethyl)-4,6-dimethylpyridine-2,3-dicarbaldehyde?
The InChIKey is SNACVKHVANMYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-9(3-4-13)8(2)12-11(6-15)10(7)5-14/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 5-(2-hydroxyethyl)-4,6-dimethylpyridine-2,3-dicarbaldehyde?
5-(2-hydroxyethyl)-4,6-dimethylpyridine-2,3-dicarbaldehyde has a molecular weight of 207.23 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-4,6-dimethylpyridine-2,3-dicarbaldehyde is sourced from PubChem (CID 58461542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).