5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde

C9H11NO3 — CID 23422601

IUPAC5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde
SMILESCOc1c(C)ncc(CO)c1C=O
InChIInChI=1S/C9H11NO3/c1-6-9(13-2)8(5-12)7(4-11)3-10-6/h3,5,11H,4H2,1-2H3
InChIKeyAKUWBZIZYAAPNO-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.70
Rot. Bonds3

About 5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde

5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde (PubChem CID 23422601) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde
PubChem CID23422601
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde
SMILESCOc1c(C)ncc(CO)c1C=O
InChIInChI=1S/C9H11NO3/c1-6-9(13-2)8(5-12)7(4-11)3-10-6/h3,5,11H,4H2,1-2H3
InChIKeyAKUWBZIZYAAPNO-UHFFFAOYSA-N
XLogP0.70
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.70
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-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde?
The IUPAC name of 5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde (CID 23422601) is 5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde.
What is the SMILES notation for 5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde?
The canonical SMILES for 5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde is COc1c(C)ncc(CO)c1C=O.
What is the InChIKey of 5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde?
The InChIKey is AKUWBZIZYAAPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-9(13-2)8(5-12)7(4-11)3-10-6/h3,5,11H,4H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde?
5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde has a molecular weight of 181.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde is sourced from PubChem (CID 23422601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).