8-bromo-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde

C13H8BrN3O — CID 84744127

IUPAC8-bromo-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(-c2ccccn2)n2cccc(Br)c12
InChIInChI=1S/C13H8BrN3O/c14-9-4-3-7-17-12(9)11(8-18)16-13(17)10-5-1-2-6-15-10/h1-8H
InChIKeyFLELHJUPTSAWBJ-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.97
Rot. Bonds2

About 8-bromo-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde

8-bromo-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 84744127) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 8-bromo-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name8-bromo-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID84744127
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name8-bromo-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(-c2ccccn2)n2cccc(Br)c12
InChIInChI=1S/C13H8BrN3O/c14-9-4-3-7-17-12(9)11(8-18)16-13(17)10-5-1-2-6-15-10/h1-8H
InChIKeyFLELHJUPTSAWBJ-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-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 83844511
3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743000
1-chloro-8-methyl-3-pyridin-2-ylimidazo[1,5-a]pyridine
CID 117252375
3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)selanylmethylselanyl]imidazo[1,5-a]pyridine
CID 102300548
8-bromo-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde
CID 171531680
1-bromo-6-methyl-3-pyridin-2-ylimidazo[1,5-a]pyridine
CID 84743704
1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine
CID 118322669
1-bromo-6-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine
CID 84744321
5-methyl-6-pyridin-2-ylindolizine
CID 167290620
5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde
CID 87124357
8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde
CID 58449869
3-bromoimidazo[1,2-a]pyridine-2-carbaldehyde
CID 2748881

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 8-bromo-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde (CID 84744127) is 8-bromo-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 8-bromo-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 8-bromo-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde is O=Cc1nc(-c2ccccn2)n2cccc(Br)c12.
What is the InChIKey of 8-bromo-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is FLELHJUPTSAWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-9-4-3-7-17-12(9)11(8-18)16-13(17)10-5-1-2-6-15-10/h1-8H.
What are the key properties of 8-bromo-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
8-bromo-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-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-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 84744127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).