2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde

C9H7BrN2O — CID 83898374

IUPAC2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde
SMILESO=CCc1cccc2c(Br)ncn12
InChIInChI=1S/C9H7BrN2O/c10-9-8-3-1-2-7(4-5-13)12(8)6-11-9/h1-3,5-6H,4H2
InChIKeySEKRRAFJCZUQMW-UHFFFAOYSA-N
MW239.07 g/mol
LogP1.84
Rot. Bonds2

About 2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde

2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde (PubChem CID 83898374) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde
PubChem CID83898374
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde
SMILESO=CCc1cccc2c(Br)ncn12
InChIInChI=1S/C9H7BrN2O/c10-9-8-3-1-2-7(4-5-13)12(8)6-11-9/h1-3,5-6H,4H2
InChIKeySEKRRAFJCZUQMW-UHFFFAOYSA-N
XLogP1.84
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-nitroimidazo[1,5-a]pyridin-5-yl)methanamine
CID 83877928
2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194499
2-(2-bromo-3-pyridinyl)acetaldehyde
CID 58138967
3-(1-methylimidazo[1,5-a]pyridin-5-yl)propan-1-amine
CID 83877257
1-bromo-6-chloro-5-methylimidazo[1,5-a]pyridine
CID 130066416
2-(5-bromo-2-methyltriazol-4-yl)acetaldehyde
CID 170348063
5-bromoimidazo[1,5-a]pyridin-1-amine
CID 83867437
2-(1,4-dimethylindol-2-yl)acetaldehyde
CID 117194342
1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde
CID 83875633
2-(4-fluoro-1-methylindol-2-yl)acetaldehyde
CID 117194443
1-bromoimidazo[1,5-a]pyridine;ethane
CID 144796494
3-bromo-1-methylindazole-4-carbaldehyde
CID 83824674

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde?
The IUPAC name of 2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde (CID 83898374) is 2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde.
What is the SMILES notation for 2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde?
The canonical SMILES for 2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde is O=CCc1cccc2c(Br)ncn12.
What is the InChIKey of 2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde?
The InChIKey is SEKRRAFJCZUQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-9-8-3-1-2-7(4-5-13)12(8)6-11-9/h1-3,5-6H,4H2.
What are the key properties of 2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde?
2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde has a molecular weight of 239.07 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde is sourced from PubChem (CID 83898374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).