5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde

C16H13BrN2O2 — CID 84745312

IUPAC5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCOc1ccc(Cc2nc(C=O)c3cccc(Br)n23)cc1
InChIInChI=1S/C16H13BrN2O2/c1-21-12-7-5-11(6-8-12)9-16-18-13(10-20)14-3-2-4-15(17)19(14)16/h2-8,10H,9H2,1H3
InChIKeyMIOCZLNVGINNJH-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.51
Rot. Bonds4

About 5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde

5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 84745312) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID84745312
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCOc1ccc(Cc2nc(C=O)c3cccc(Br)n23)cc1
InChIInChI=1S/C16H13BrN2O2/c1-21-12-7-5-11(6-8-12)9-16-18-13(10-20)14-3-2-4-15(17)19(14)16/h2-8,10H,9H2,1H3
InChIKeyMIOCZLNVGINNJH-UHFFFAOYSA-N
XLogP3.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoethyl)-5-bromoimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743006
5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743489
5-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743818
6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84740931
7-bromo-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84744943
2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole
CID 5016671
5-bromo-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine
CID 117142060
3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 28752017
6-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84740196
3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 166443268
2-[1-[(4-methoxyphenyl)methyl]-4-methylindazol-3-yl]acetaldehyde
CID 89115363
1,5-bis(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937024

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde (CID 84745312) is 5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde is COc1ccc(Cc2nc(C=O)c3cccc(Br)n23)cc1.
What is the InChIKey of 5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is MIOCZLNVGINNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-21-12-7-5-11(6-8-12)9-16-18-13(10-20)14-3-2-4-15(17)19(14)16/h2-8,10H,9H2,1H3.
What are the key properties of 5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde?
5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 345.20 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 84745312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).