3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde

C16H17NO2 — CID 11536183

IUPAC3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde
SMILESCCc1cc(-c2cccc(C=O)c2)c(C)nc1OC
InChIInChI=1S/C16H17NO2/c1-4-13-9-15(11(2)17-16(13)19-3)14-7-5-6-12(8-14)10-18/h5-10H,4H2,1-3H3
InChIKeyLZKPMVYKPDSQNK-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.44
Rot. Bonds4

About 3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde

3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde (PubChem CID 11536183) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde
PubChem CID11536183
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde
SMILESCCc1cc(-c2cccc(C=O)c2)c(C)nc1OC
InChIInChI=1S/C16H17NO2/c1-4-13-9-15(11(2)17-16(13)19-3)14-7-5-6-12(8-14)10-18/h5-10H,4H2,1-3H3
InChIKeyLZKPMVYKPDSQNK-UHFFFAOYSA-N
XLogP3.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.44
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-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde?
The IUPAC name of 3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde (CID 11536183) is 3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde?
The canonical SMILES for 3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde is CCc1cc(-c2cccc(C=O)c2)c(C)nc1OC.
What is the InChIKey of 3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde?
The InChIKey is LZKPMVYKPDSQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-4-13-9-15(11(2)17-16(13)19-3)14-7-5-6-12(8-14)10-18/h5-10H,4H2,1-3H3.
What are the key properties of 3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde?
3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde has a molecular weight of 255.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 11536183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).