5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde

C11H15NO — CID 83914847

IUPAC5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde
SMILESCc1cnc(CC(C)C)c(C=O)c1
InChIInChI=1S/C11H15NO/c1-8(2)4-11-10(7-13)5-9(3)6-12-11/h5-8H,4H2,1-3H3
InChIKeyXSKOMHPJDUUTQZ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.40
Rot. Bonds3

About 5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde

5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde (PubChem CID 83914847) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde
PubChem CID83914847
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde
SMILESCc1cnc(CC(C)C)c(C=O)c1
InChIInChI=1S/C11H15NO/c1-8(2)4-11-10(7-13)5-9(3)6-12-11/h5-8H,4H2,1-3H3
InChIKeyXSKOMHPJDUUTQZ-UHFFFAOYSA-N
XLogP2.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-2-(2-methylpropyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde (CID 83914847) is 5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde is Cc1cnc(CC(C)C)c(C=O)c1.
What is the InChIKey of 5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde?
The InChIKey is XSKOMHPJDUUTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(2)4-11-10(7-13)5-9(3)6-12-11/h5-8H,4H2,1-3H3.
What are the key properties of 5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde?
5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde has a molecular weight of 177.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 83914847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).