3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde

C15H15BrN2O2 — CID 116836747

IUPAC3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCOc1ccc(-c2nc(C=O)c3n2CCCC3)cc1Br
InChIInChI=1S/C15H15BrN2O2/c1-20-14-6-5-10(8-11(14)16)15-17-12(9-19)13-4-2-3-7-18(13)15/h5-6,8-9H,2-4,7H2,1H3
InChIKeyVFBBTDCYTZMIPP-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.47
Rot. Bonds3

About 3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde

3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 116836747) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID116836747
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCOc1ccc(-c2nc(C=O)c3n2CCCC3)cc1Br
InChIInChI=1S/C15H15BrN2O2/c1-20-14-6-5-10(8-11(14)16)15-17-12(9-19)13-4-2-3-7-18(13)15/h5-6,8-9H,2-4,7H2,1H3
InChIKeyVFBBTDCYTZMIPP-UHFFFAOYSA-N
XLogP3.47
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.47
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

[3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine
CID 116836659
2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854107
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanone
CID 64982207
[3-(3-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanol
CID 116836872
N-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551110
4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 116821473
2-(3-bromo-4-methoxyphenyl)-1-cyclohexylethanone
CID 54971754
3-(3-bromo-4-methoxyphenyl)-4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazole
CID 58947341
4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
CID 115051830
2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
CID 82489418
[2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040239
1-[(3-bromo-4-methoxyphenyl)methyl]imidazole-4-carbaldehyde
CID 106716779

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde (CID 116836747) is 3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde is COc1ccc(-c2nc(C=O)c3n2CCCC3)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is VFBBTDCYTZMIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-14-6-5-10(8-11(14)16)15-17-12(9-19)13-4-2-3-7-18(13)15/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde?
3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 335.20 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 116836747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).