methyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate

C10H7BrN2O3 — CID 131377489

IUPACmethyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cc(Br)cn2c(C=O)cnc12
InChIInChI=1S/C10H7BrN2O3/c1-16-10(15)8-2-6(11)4-13-7(5-14)3-12-9(8)13/h2-5H,1H3
InChIKeyDTHFSUPNLXKCNR-UHFFFAOYSA-N
MW283.08 g/mol
LogP1.70
Rot. Bonds2

About methyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate

methyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 131377489) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is methyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID131377489
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Namemethyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cc(Br)cn2c(C=O)cnc12
InChIInChI=1S/C10H7BrN2O3/c1-16-10(15)8-2-6(11)4-13-7(5-14)3-12-9(8)13/h2-5H,1H3
InChIKeyDTHFSUPNLXKCNR-UHFFFAOYSA-N
XLogP1.70
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82555209
dimethyl 5-bromopyridine-2,3-dicarboxylate
CID 53423993
8-bromo-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 166102499
methyl 3-ethenylimidazo[1,2-a]pyridine-8-carboxylate
CID 135146869
methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate
CID 168948261
methyl 5-bromo-2-iodopyridine-3-carboxylate
CID 133062005
methyl 5-bromo-2-[(E)-dimethylaminomethylideneamino]pyridine-3-carboxylate
CID 118225142
methyl 5-bromo-2-propan-2-ylpyridine-3-carboxylate
CID 131443087
methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate
CID 24728090
methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
CID 130830671
methyl 5-formylindolizine-8-carboxylate
CID 86685513
methyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate
CID 76559939

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate (CID 131377489) is methyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cc(Br)cn2c(C=O)cnc12.
What is the InChIKey of methyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is DTHFSUPNLXKCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c1-16-10(15)8-2-6(11)4-13-7(5-14)3-12-9(8)13/h2-5H,1H3.
What are the key properties of methyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate?
methyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 283.08 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 131377489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).