8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde

C13H8BrN3O — CID 82060473

IUPAC8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2cccnc2)nc2c(Br)cccn12
InChIInChI=1S/C13H8BrN3O/c14-10-4-2-6-17-11(8-18)12(16-13(10)17)9-3-1-5-15-7-9/h1-8H
InChIKeyDCWGJCCINBDCAA-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.97
Rot. Bonds2

About 8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde

8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 82060473) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID82060473
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2cccnc2)nc2c(Br)cccn12
InChIInChI=1S/C13H8BrN3O/c14-10-4-2-6-17-11(8-18)12(16-13(10)17)9-3-1-5-15-7-9/h1-8H
InChIKeyDCWGJCCINBDCAA-UHFFFAOYSA-N
XLogP2.97
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine
CID 71492664
8-bromo-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde
CID 171531680
2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 2758451
8-chloro-2-naphthalen-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 87886295
8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde
CID 58449869
3-(2,6-dibromophenyl)pyridine
CID 76539776
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565551
5-bromo-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazole
CID 50878457
2,8-dimethylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 2758567
2,6-dipyridin-3-ylpyridine
CID 13349632
6-chloro-8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82531004
2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134209

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 82060473) is 8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1c(-c2cccnc2)nc2c(Br)cccn12.
What is the InChIKey of 8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is DCWGJCCINBDCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-10-4-2-6-17-11(8-18)12(16-13(10)17)9-3-1-5-15-7-9/h1-8H.
What are the key properties of 8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde?
8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 302.13 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 82060473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).