2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde

C13H16N2O — CID 115405155

IUPAC2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCC(C)c1nc2cccc(C)n2c1C=O
InChIInChI=1S/C13H16N2O/c1-4-9(2)13-11(8-16)15-10(3)6-5-7-12(15)14-13/h5-9H,4H2,1-3H3
InChIKeyWRFFNFVWJKKDHX-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.97
Rot. Bonds3

About 2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde

2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 115405155) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID115405155
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCC(C)c1nc2cccc(C)n2c1C=O
InChIInChI=1S/C13H16N2O/c1-4-9(2)13-11(8-16)15-10(3)6-5-7-12(15)14-13/h5-9H,4H2,1-3H3
InChIKeyWRFFNFVWJKKDHX-UHFFFAOYSA-N
XLogP2.97
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.97
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-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 115405155) is 2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde is CCC(C)c1nc2cccc(C)n2c1C=O.
What is the InChIKey of 2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is WRFFNFVWJKKDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-9(2)13-11(8-16)15-10(3)6-5-7-12(15)14-13/h5-9H,4H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 216.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 115405155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).