1-benzyl-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde

C21H16N2O2 — CID 86346086

IUPAC1-benzyl-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde
SMILESO=Cc1c(-c2ccc(O)cc2)c2ccncc2n1Cc1ccccc1
InChIInChI=1S/C21H16N2O2/c24-14-20-21(16-6-8-17(25)9-7-16)18-10-11-22-12-19(18)23(20)13-15-4-2-1-3-5-15/h1-12,14,25H,13H2
InChIKeyXNEOJQUMTPYGTO-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.27
Rot. Bonds4

About 1-benzyl-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde

1-benzyl-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde (PubChem CID 86346086) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-benzyl-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde
PubChem CID86346086
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name1-benzyl-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde
SMILESO=Cc1c(-c2ccc(O)cc2)c2ccncc2n1Cc1ccccc1
InChIInChI=1S/C21H16N2O2/c24-14-20-21(16-6-8-17(25)9-7-16)18-10-11-22-12-19(18)23(20)13-15-4-2-1-3-5-15/h1-12,14,25H,13H2
InChIKeyXNEOJQUMTPYGTO-UHFFFAOYSA-N
XLogP4.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.27
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 1-benzyl-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde?
The IUPAC name of 1-benzyl-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde (CID 86346086) is 1-benzyl-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 1-benzyl-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde?
The canonical SMILES for 1-benzyl-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde is O=Cc1c(-c2ccc(O)cc2)c2ccncc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde?
The InChIKey is XNEOJQUMTPYGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-14-20-21(16-6-8-17(25)9-7-16)18-10-11-22-12-19(18)23(20)13-15-4-2-1-3-5-15/h1-12,14,25H,13H2.
What are the key properties of 1-benzyl-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde?
1-benzyl-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde has a molecular weight of 328.37 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 86346086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).