3-(6-methoxy-2-methyl-3-pyridinyl)propanal

C10H13NO2 — CID 75406697

IUPAC3-(6-methoxy-2-methyl-3-pyridinyl)propanal
SMILESCOc1ccc(CCC=O)c(C)n1
InChIInChI=1S/C10H13NO2/c1-8-9(4-3-7-12)5-6-10(11-8)13-2/h5-7H,3-4H2,1-2H3
InChIKeyFRXXGBDBJQDFAL-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.53
Rot. Bonds4

About 3-(6-methoxy-2-methyl-3-pyridinyl)propanal

3-(6-methoxy-2-methyl-3-pyridinyl)propanal (PubChem CID 75406697) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(6-methoxy-2-methyl-3-pyridinyl)propanal.

Molecular Properties

Compound Name3-(6-methoxy-2-methyl-3-pyridinyl)propanal
PubChem CID75406697
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-(6-methoxy-2-methyl-3-pyridinyl)propanal
SMILESCOc1ccc(CCC=O)c(C)n1
InChIInChI=1S/C10H13NO2/c1-8-9(4-3-7-12)5-6-10(11-8)13-2/h5-7H,3-4H2,1-2H3
InChIKeyFRXXGBDBJQDFAL-UHFFFAOYSA-N
XLogP1.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.53
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 3-(6-methoxy-2-methyl-3-pyridinyl)propanal?
The IUPAC name of 3-(6-methoxy-2-methyl-3-pyridinyl)propanal (CID 75406697) is 3-(6-methoxy-2-methyl-3-pyridinyl)propanal.
What is the SMILES notation for 3-(6-methoxy-2-methyl-3-pyridinyl)propanal?
The canonical SMILES for 3-(6-methoxy-2-methyl-3-pyridinyl)propanal is COc1ccc(CCC=O)c(C)n1.
What is the InChIKey of 3-(6-methoxy-2-methyl-3-pyridinyl)propanal?
The InChIKey is FRXXGBDBJQDFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8-9(4-3-7-12)5-6-10(11-8)13-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-(6-methoxy-2-methyl-3-pyridinyl)propanal?
3-(6-methoxy-2-methyl-3-pyridinyl)propanal has a molecular weight of 179.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-methyl-3-pyridinyl)propanal is sourced from PubChem (CID 75406697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).