6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde

C13H11NO2 — CID 82520973

IUPAC6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)c(=O)[nH]2)cc1
InChIInChI=1S/C13H11NO2/c1-9-2-4-10(5-3-9)12-7-6-11(8-15)13(16)14-12/h2-8H,1H3,(H,14,16)
InChIKeyOSMCXQVUVNQMBQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.16
Rot. Bonds2

About 6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde

6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 82520973) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID82520973
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)c(=O)[nH]2)cc1
InChIInChI=1S/C13H11NO2/c1-9-2-4-10(5-3-9)12-7-6-11(8-15)13(16)14-12/h2-8H,1H3,(H,14,16)
InChIKeyOSMCXQVUVNQMBQ-UHFFFAOYSA-N
XLogP2.16
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 82519690
2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde
CID 82521365
6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 82518162
4-amino-2,3-bis(4-methylphenyl)benzaldehyde
CID 141187820
3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one
CID 82520963
6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one
CID 82520970
2-iodyl-4-methylbenzaldehyde
CID 172555476
5-(4-methylphenyl)-1H-imidazole-2-carbaldehyde
CID 63925966
4,6-bis(4-methylphenyl)-1H-pyridin-2-one
CID 12035523
1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde
CID 82520943
5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride
CID 175983972
CID 143927164
CID 143927164

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde (CID 82520973) is 6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde is Cc1ccc(-c2ccc(C=O)c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is OSMCXQVUVNQMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-9-2-4-10(5-3-9)12-7-6-11(8-15)13(16)14-12/h2-8H,1H3,(H,14,16).
What are the key properties of 6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde?
6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 213.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 82520973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).