2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde

C8H7NO2 — CID 138745188

IUPAC2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde
SMILESCc1cccc(C(=O)C=O)n1
InChIInChI=1S/C8H7NO2/c1-6-3-2-4-7(9-6)8(11)5-10/h2-5H,1H3
InChIKeyTZQPAXFFZHUMJJ-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.77
Rot. Bonds2

About 2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde

2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde (PubChem CID 138745188) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde
PubChem CID138745188
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde
SMILESCc1cccc(C(=O)C=O)n1
InChIInChI=1S/C8H7NO2/c1-6-3-2-4-7(9-6)8(11)5-10/h2-5H,1H3
InChIKeyTZQPAXFFZHUMJJ-UHFFFAOYSA-N
XLogP0.77
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-methylpyridine-2-carbonyl iodide
CID 154552361
2-methyl-1-(6-methyl-2-pyridinyl)prop-2-en-1-one
CID 79191028
ethyl formate;6-methylpyridine-2-carboxylic acid
CID 143716127
2-cyclopentyl-1-(6-methyl-2-pyridinyl)ethanone
CID 63555756
3-(6-methyl-2-pyridinyl)-3-oxopropanenitrile
CID 53435643
1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone
CID 2736945
(E)-1-(6-methyl-2-pyridinyl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethanimine
CID 50989515
N-(3-formylphenyl)-6-methylpyridine-2-carboxamide
CID 106912611
(6-methyl-2-pyridinyl)-(4-phenylphenyl)methanone
CID 65453805
4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one
CID 114473556
N-[2-(dimethylamino)ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 110483041
bis(2,6-dimethylpyridine);palladium(2+);diacetate
CID 139114268

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde (CID 138745188) is 2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde is Cc1cccc(C(=O)C=O)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde?
The InChIKey is TZQPAXFFZHUMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-6-3-2-4-7(9-6)8(11)5-10/h2-5H,1H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde?
2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde has a molecular weight of 149.15 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde is sourced from PubChem (CID 138745188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).