4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)benzaldehyde

C14H9BrN2O — CID 134612522

IUPAC4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)benzaldehyde
SMILESO=Cc1ccc(-n2ccc3c(Br)ccnc32)cc1
InChIInChI=1S/C14H9BrN2O/c15-13-5-7-16-14-12(13)6-8-17(14)11-3-1-10(9-18)2-4-11/h1-9H
InChIKeyMUAAWBHVDPOCEE-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.60
Rot. Bonds2

About 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)benzaldehyde

4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)benzaldehyde (PubChem CID 134612522) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)benzaldehyde
PubChem CID134612522
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)benzaldehyde
SMILESO=Cc1ccc(-n2ccc3c(Br)ccnc32)cc1
InChIInChI=1S/C14H9BrN2O/c15-13-5-7-16-14-12(13)6-8-17(14)11-3-1-10(9-18)2-4-11/h1-9H
InChIKeyMUAAWBHVDPOCEE-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)benzaldehyde?
The IUPAC name of 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)benzaldehyde (CID 134612522) is 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)benzaldehyde.
What is the SMILES notation for 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)benzaldehyde?
The canonical SMILES for 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)benzaldehyde is O=Cc1ccc(-n2ccc3c(Br)ccnc32)cc1.
What is the InChIKey of 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)benzaldehyde?
The InChIKey is MUAAWBHVDPOCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-13-5-7-16-14-12(13)6-8-17(14)11-3-1-10(9-18)2-4-11/h1-9H.
What are the key properties of 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)benzaldehyde?
4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)benzaldehyde has a molecular weight of 301.14 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)benzaldehyde is sourced from PubChem (CID 134612522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).