3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde

C9H11BrN2O — CID 84703665

IUPAC3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde
SMILESCC1CCc2nc(C=O)c(Br)n2C1
InChIInChI=1S/C9H11BrN2O/c1-6-2-3-8-11-7(5-13)9(10)12(8)4-6/h5-6H,2-4H2,1H3
InChIKeyIHFUXRSSOOABLL-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.04
Rot. Bonds1

About 3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde

3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde (PubChem CID 84703665) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde
PubChem CID84703665
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde
SMILESCC1CCc2nc(C=O)c(Br)n2C1
InChIInChI=1S/C9H11BrN2O/c1-6-2-3-8-11-7(5-13)9(10)12(8)4-6/h5-6H,2-4H2,1H3
InChIKeyIHFUXRSSOOABLL-UHFFFAOYSA-N
XLogP2.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.04
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

3,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
CID 83827911
2,3,6-trimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 83217451
2-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole
CID 83217367
6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
CID 83826757
2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 83886940
2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 115025318
(6S)-2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 124857280
(2S)-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 167031485
2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 70513062
6-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 83964908
3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 105468252
(6R)-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonyl chloride
CID 98113946

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde?
The IUPAC name of 3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde (CID 84703665) is 3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde?
The canonical SMILES for 3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde is CC1CCc2nc(C=O)c(Br)n2C1.
What is the InChIKey of 3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde?
The InChIKey is IHFUXRSSOOABLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6-2-3-8-11-7(5-13)9(10)12(8)4-6/h5-6H,2-4H2,1H3.
What are the key properties of 3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde?
3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde has a molecular weight of 243.10 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde is sourced from PubChem (CID 84703665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).