2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde

C16H11N3O — CID 87286726

IUPAC2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
SMILESO=Cc1ccnc2[nH]c(-c3c[nH]c4ccccc34)cc12
InChIInChI=1S/C16H11N3O/c20-9-10-5-6-17-16-12(10)7-15(19-16)13-8-18-14-4-2-1-3-11(13)14/h1-9,18H,(H,17,19)
InChIKeyPUHBBUOAIWYIHT-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.52
Rot. Bonds2

About 2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde

2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde (PubChem CID 87286726) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
PubChem CID87286726
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
SMILESO=Cc1ccnc2[nH]c(-c3c[nH]c4ccccc34)cc12
InChIInChI=1S/C16H11N3O/c20-9-10-5-6-17-16-12(10)7-15(19-16)13-8-18-14-4-2-1-3-11(13)14/h1-9,18H,(H,17,19)
InChIKeyPUHBBUOAIWYIHT-UHFFFAOYSA-N
XLogP3.52
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900685
5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde
CID 82039787
1H-indole-3-carbaldehyde;quinoline
CID 174622034
4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione
CID 116879571
5-(1H-indol-3-yl)furan-2-carbaldehyde
CID 21084536
3-pyridin-4-yl-1H-indole
CID 159430533
1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde
CID 53413137
4-[(Z)-2-(1H-indol-3-yl)ethenyl]quinoline
CID 54609523
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide
CID 131952895
methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate
CID 15287367
(3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole
CID 10507863

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde?
The IUPAC name of 2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde (CID 87286726) is 2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde?
The canonical SMILES for 2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde is O=Cc1ccnc2[nH]c(-c3c[nH]c4ccccc34)cc12.
What is the InChIKey of 2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde?
The InChIKey is PUHBBUOAIWYIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-9-10-5-6-17-16-12(10)7-15(19-16)13-8-18-14-4-2-1-3-11(13)14/h1-9,18H,(H,17,19).
What are the key properties of 2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde?
2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde has a molecular weight of 261.28 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde is sourced from PubChem (CID 87286726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).