3-(2-hydroxybenzoyl)-5,6-dimethylpyridine-2-carbaldehyde

C15H13NO3 — CID 134857581

IUPAC3-(2-hydroxybenzoyl)-5,6-dimethylpyridine-2-carbaldehyde
SMILESCc1cc(C(=O)c2ccccc2O)c(C=O)nc1C
InChIInChI=1S/C15H13NO3/c1-9-7-12(13(8-17)16-10(9)2)15(19)11-5-3-4-6-14(11)18/h3-8,18H,1-2H3
InChIKeyOWHVJTZBRVHGIG-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.45
Rot. Bonds3

About 3-(2-hydroxybenzoyl)-5,6-dimethylpyridine-2-carbaldehyde

3-(2-hydroxybenzoyl)-5,6-dimethylpyridine-2-carbaldehyde (PubChem CID 134857581) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-(2-hydroxybenzoyl)-5,6-dimethylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(2-hydroxybenzoyl)-5,6-dimethylpyridine-2-carbaldehyde
PubChem CID134857581
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-(2-hydroxybenzoyl)-5,6-dimethylpyridine-2-carbaldehyde
SMILESCc1cc(C(=O)c2ccccc2O)c(C=O)nc1C
InChIInChI=1S/C15H13NO3/c1-9-7-12(13(8-17)16-10(9)2)15(19)11-5-3-4-6-14(11)18/h3-8,18H,1-2H3
InChIKeyOWHVJTZBRVHGIG-UHFFFAOYSA-N
XLogP2.45
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxybenzoyl)-5,6-dimethylpyridine-2-carbaldehyde?
The IUPAC name of 3-(2-hydroxybenzoyl)-5,6-dimethylpyridine-2-carbaldehyde (CID 134857581) is 3-(2-hydroxybenzoyl)-5,6-dimethylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-(2-hydroxybenzoyl)-5,6-dimethylpyridine-2-carbaldehyde?
The canonical SMILES for 3-(2-hydroxybenzoyl)-5,6-dimethylpyridine-2-carbaldehyde is Cc1cc(C(=O)c2ccccc2O)c(C=O)nc1C.
What is the InChIKey of 3-(2-hydroxybenzoyl)-5,6-dimethylpyridine-2-carbaldehyde?
The InChIKey is OWHVJTZBRVHGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-9-7-12(13(8-17)16-10(9)2)15(19)11-5-3-4-6-14(11)18/h3-8,18H,1-2H3.
What are the key properties of 3-(2-hydroxybenzoyl)-5,6-dimethylpyridine-2-carbaldehyde?
3-(2-hydroxybenzoyl)-5,6-dimethylpyridine-2-carbaldehyde has a molecular weight of 255.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxybenzoyl)-5,6-dimethylpyridine-2-carbaldehyde is sourced from PubChem (CID 134857581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).