2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

C15H12N2O — CID 84699413

IUPAC2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCc1cccc(-c2[nH]c3ncccc3c2C=O)c1
InChIInChI=1S/C15H12N2O/c1-10-4-2-5-11(8-10)14-13(9-18)12-6-3-7-16-15(12)17-14/h2-9H,1H3,(H,16,17)
InChIKeyGNFJLBRGBTXURS-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.35
Rot. Bonds2

About 2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 84699413) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID84699413
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCc1cccc(-c2[nH]c3ncccc3c2C=O)c1
InChIInChI=1S/C15H12N2O/c1-10-4-2-5-11(8-10)14-13(9-18)12-6-3-7-16-15(12)17-14/h2-9H,1H3,(H,16,17)
InChIKeyGNFJLBRGBTXURS-UHFFFAOYSA-N
XLogP3.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.35
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

7-fluoro-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3810268
7-bromo-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3707211
2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 175660865
5,7-difluoro-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3789145
5-butan-2-yl-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3268342
7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3762825
2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3415551
2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 2771714
2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84680375
7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3753666
5-propan-2-yl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3516645
2-(3-chlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde
CID 3328264

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 84699413) is 2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is Cc1cccc(-c2[nH]c3ncccc3c2C=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is GNFJLBRGBTXURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10-4-2-5-11(8-10)14-13(9-18)12-6-3-7-16-15(12)17-14/h2-9H,1H3,(H,16,17).
What are the key properties of 2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 84699413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).