2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde

C21H17NO2 — CID 162109496

IUPAC2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde
SMILESCc1c(CC(=O)c2cc(C=O)ccn2)cccc1-c1ccccc1
InChIInChI=1S/C21H17NO2/c1-15-18(8-5-9-19(15)17-6-3-2-4-7-17)13-21(24)20-12-16(14-23)10-11-22-20/h2-12,14H,13H2,1H3
InChIKeyZFYPGWCIMCXSAM-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.29
Rot. Bonds5

About 2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde

2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde (PubChem CID 162109496) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde
PubChem CID162109496
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde
SMILESCc1c(CC(=O)c2cc(C=O)ccn2)cccc1-c1ccccc1
InChIInChI=1S/C21H17NO2/c1-15-18(8-5-9-19(15)17-6-3-2-4-7-17)13-21(24)20-12-16(14-23)10-11-22-20/h2-12,14H,13H2,1H3
InChIKeyZFYPGWCIMCXSAM-UHFFFAOYSA-N
XLogP4.29
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromopyrimidin-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone
CID 157484074
3-[[5-formyl-2-[2-(2-methyl-3-phenylphenyl)acetyl]-4-pyridinyl]oxymethyl]benzonitrile
CID 161048194
1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone
CID 159450343
2-(2-methyl-3-phenylphenyl)-1-[1-methyl-5-(propylaminomethyl)pyrazol-3-yl]ethanone
CID 167583828
4-formylpyridine-2-carboxylic acid;hydrochloride
CID 146082186
(2S)-1-[[4-methyl-6-[2-(2-methyl-3-phenylphenyl)acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 147075376
5-formyl-N-[3-[3-[2-(5-formyl-4-methyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide
CID 158592210
2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840221
(2S)-1-[[1-methyl-3-[2-(2-methyl-3-phenylphenyl)acetyl]pyrazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 147796151
3-[5-(2-methyl-3-phenylphenyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 168864527
3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide
CID 67666243
2-methyl-3-(2-methyl-4-pyridinyl)benzaldehyde
CID 172651416

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde?
The IUPAC name of 2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde (CID 162109496) is 2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde?
The canonical SMILES for 2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde is Cc1c(CC(=O)c2cc(C=O)ccn2)cccc1-c1ccccc1.
What is the InChIKey of 2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde?
The InChIKey is ZFYPGWCIMCXSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-15-18(8-5-9-19(15)17-6-3-2-4-7-17)13-21(24)20-12-16(14-23)10-11-22-20/h2-12,14H,13H2,1H3.
What are the key properties of 2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde?
2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde has a molecular weight of 315.37 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde is sourced from PubChem (CID 162109496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).