5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde

C10H13NO2 — CID 55297707

IUPAC5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1OC(C)C
InChIInChI=1S/C10H13NO2/c1-7(2)13-10-8(3)4-9(6-12)5-11-10/h4-7H,1-3H3
InChIKeyGAGKDXQBKKBNET-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.99
Rot. Bonds3

About 5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde

5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde (PubChem CID 55297707) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde
PubChem CID55297707
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1OC(C)C
InChIInChI=1S/C10H13NO2/c1-7(2)13-10-8(3)4-9(6-12)5-11-10/h4-7H,1-3H3
InChIKeyGAGKDXQBKKBNET-UHFFFAOYSA-N
XLogP1.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
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 5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde (CID 55297707) is 5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde is Cc1cc(C=O)cnc1OC(C)C.
What is the InChIKey of 5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde?
The InChIKey is GAGKDXQBKKBNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(2)13-10-8(3)4-9(6-12)5-11-10/h4-7H,1-3H3.
What are the key properties of 5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde?
5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde has a molecular weight of 179.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde is sourced from PubChem (CID 55297707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).