4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde

C15H12N2O3 — CID 177320272

IUPAC4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde
SMILESCn1cc(-c2ccccc2O)c2cc(C=O)[nH]c2c1=O
InChIInChI=1S/C15H12N2O3/c1-17-7-12(10-4-2-3-5-13(10)19)11-6-9(8-18)16-14(11)15(17)20/h2-8,16,19H,1H3
InChIKeyNIHZLJWSXPEFEO-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.05
Rot. Bonds2

About 4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde

4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde (PubChem CID 177320272) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde
PubChem CID177320272
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde
SMILESCn1cc(-c2ccccc2O)c2cc(C=O)[nH]c2c1=O
InChIInChI=1S/C15H12N2O3/c1-17-7-12(10-4-2-3-5-13(10)19)11-6-9(8-18)16-14(11)15(17)20/h2-8,16,19H,1H3
InChIKeyNIHZLJWSXPEFEO-UHFFFAOYSA-N
XLogP2.05
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde?
The IUPAC name of 4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde (CID 177320272) is 4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde?
The canonical SMILES for 4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde is Cn1cc(-c2ccccc2O)c2cc(C=O)[nH]c2c1=O.
What is the InChIKey of 4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde?
The InChIKey is NIHZLJWSXPEFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-17-7-12(10-4-2-3-5-13(10)19)11-6-9(8-18)16-14(11)15(17)20/h2-8,16,19H,1H3.
What are the key properties of 4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde?
4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde has a molecular weight of 268.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 177320272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).