6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde

C15H15NO — CID 12886374

IUPAC6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
SMILESCC(C)c1nc(-c2ccccc2)ccc1C=O
InChIInChI=1S/C15H15NO/c1-11(2)15-13(10-17)8-9-14(16-15)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyHYSLWTYKHGMYDJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.68
Rot. Bonds3

About 6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde

6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde (PubChem CID 12886374) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
PubChem CID12886374
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
SMILESCC(C)c1nc(-c2ccccc2)ccc1C=O
InChIInChI=1S/C15H15NO/c1-11(2)15-13(10-17)8-9-14(16-15)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyHYSLWTYKHGMYDJ-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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

6-fluoro-2-propan-2-ylpyridine-3-carbaldehyde
CID 154728741
4-phenyl-2-propan-2-ylbenzaldehyde
CID 14895374
3-chloro-4-phenyl-2-propan-2-ylbenzaldehyde
CID 175393743
3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine
CID 19867626
2-fluoro-6-pyridin-3-ylpyridine-3-carbaldehyde
CID 131869800
2-fluoro-6-pyridin-4-ylpyridine-3-carbaldehyde
CID 131869660
4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine
CID 142622578
iridium;tris(2-phenylquinoline)
CID 122129463
2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde
CID 83878437
4-phenyl-1,3-thiazole-2-carbaldehyde
CID 3538814
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
2-chloro-4-quinolin-2-ylbenzaldehyde
CID 116645016

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde (CID 12886374) is 6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde is CC(C)c1nc(-c2ccccc2)ccc1C=O.
What is the InChIKey of 6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde?
The InChIKey is HYSLWTYKHGMYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11(2)15-13(10-17)8-9-14(16-15)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde?
6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde has a molecular weight of 225.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 12886374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).