2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde

C11H15NO2 — CID 131491994

IUPAC2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde
SMILESCc1nc(OC(C)(C)C)ccc1C=O
InChIInChI=1S/C11H15NO2/c1-8-9(7-13)5-6-10(12-8)14-11(2,3)4/h5-7H,1-4H3
InChIKeyIQVJZJSUULSAEX-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.38
Rot. Bonds2

About 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde

2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde (PubChem CID 131491994) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde
PubChem CID131491994
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde
SMILESCc1nc(OC(C)(C)C)ccc1C=O
InChIInChI=1S/C11H15NO2/c1-8-9(7-13)5-6-10(12-8)14-11(2,3)4/h5-7H,1-4H3
InChIKeyIQVJZJSUULSAEX-UHFFFAOYSA-N
XLogP2.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.38
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 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde?
The IUPAC name of 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde (CID 131491994) is 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde?
The canonical SMILES for 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde is Cc1nc(OC(C)(C)C)ccc1C=O.
What is the InChIKey of 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde?
The InChIKey is IQVJZJSUULSAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-9(7-13)5-6-10(12-8)14-11(2,3)4/h5-7H,1-4H3.
What are the key properties of 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde?
2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde has a molecular weight of 193.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 131491994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).