2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde

C15H15NO — CID 87096774

IUPAC2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde
SMILESCc1cc(C(C=O)c2ccccc2)cc(C)n1
InChIInChI=1S/C15H15NO/c1-11-8-14(9-12(2)16-11)15(10-17)13-6-4-3-5-7-13/h3-10,15H,1-2H3
InChIKeyBDSUMNINULZYQO-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.03
Rot. Bonds3

About 2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde

2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde (PubChem CID 87096774) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde
PubChem CID87096774
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde
SMILESCc1cc(C(C=O)c2ccccc2)cc(C)n1
InChIInChI=1S/C15H15NO/c1-11-8-14(9-12(2)16-11)15(10-17)13-6-4-3-5-7-13/h3-10,15H,1-2H3
InChIKeyBDSUMNINULZYQO-UHFFFAOYSA-N
XLogP3.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-difluorophenyl)-2-phenylacetaldehyde
CID 87253871
2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde
CID 172604328
2-(2-methylphenyl)-2-phenylacetaldehyde
CID 76507098
2,4-bis(2,6-dimethyl-4-pyridinyl)-1,5-diphenylpentan-3-one
CID 150680372
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
CID 735994
1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 82417415
(2R)-2-chloro-2-phenylacetaldehyde
CID 92982743
2,10-dimethylazecine
CID 126659012
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62876566
2-methyl-3-phenylbutanal
CID 3024886
2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde
CID 159871714
3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one
CID 7748132

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde (CID 87096774) is 2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde is Cc1cc(C(C=O)c2ccccc2)cc(C)n1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde?
The InChIKey is BDSUMNINULZYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11-8-14(9-12(2)16-11)15(10-17)13-6-4-3-5-7-13/h3-10,15H,1-2H3.
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde?
2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde has a molecular weight of 225.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde is sourced from PubChem (CID 87096774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).