2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde

C10H9BrN2O2 — CID 117253977

IUPAC2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde
SMILESCOc1ccn2c(CC=O)nc(Br)c2c1
InChIInChI=1S/C10H9BrN2O2/c1-15-7-2-4-13-8(6-7)10(11)12-9(13)3-5-14/h2,4-6H,3H2,1H3
InChIKeyGWNFPQDXLWCLDA-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.85
Rot. Bonds3

About 2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde

2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde (PubChem CID 117253977) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde
PubChem CID117253977
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde
SMILESCOc1ccn2c(CC=O)nc(Br)c2c1
InChIInChI=1S/C10H9BrN2O2/c1-15-7-2-4-13-8(6-7)10(11)12-9(13)3-5-14/h2,4-6H,3H2,1H3
InChIKeyGWNFPQDXLWCLDA-UHFFFAOYSA-N
XLogP1.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.85
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

1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid
CID 117254464
7-methoxy-3-propylimidazo[1,5-a]pyridine-1-sulfonamide
CID 112552480
3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde
CID 84708360
1-(bromomethyl)-7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine
CID 112552922
3-ethyl-7-methoxy-N,N-dimethylimidazo[1,5-a]pyridine-1-sulfonamide
CID 112552307
7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254425
N,3-diethyl-7-methoxyimidazo[1,5-a]pyridine-1-sulfonamide
CID 112552294
3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255414
1-bromo-3-(3,5-dimethoxyphenyl)-7-methylimidazo[1,5-a]pyridine
CID 84745418
1-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridin-7-ol
CID 117253932
1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine
CID 84744970
7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde
CID 105436739

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde?
The IUPAC name of 2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde (CID 117253977) is 2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde?
The canonical SMILES for 2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde is COc1ccn2c(CC=O)nc(Br)c2c1.
What is the InChIKey of 2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde?
The InChIKey is GWNFPQDXLWCLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-15-7-2-4-13-8(6-7)10(11)12-9(13)3-5-14/h2,4-6H,3H2,1H3.
What are the key properties of 2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde?
2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde has a molecular weight of 269.10 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde is sourced from PubChem (CID 117253977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).