ethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate

C11H10BrClN2O2 — CID 156502979

IUPACethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(Br)cc(CCl)c2n1
InChIInChI=1S/C11H10BrClN2O2/c1-2-17-11(16)9-6-15-5-8(12)3-7(4-13)10(15)14-9/h3,5-6H,2,4H2,1H3
InChIKeyLEETWIMXBKHUTD-UHFFFAOYSA-N
MW317.57 g/mol
LogP3.01
Rot. Bonds3

About ethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 156502979) has the molecular formula C11H10BrClN2O2 and a molecular weight of 317.57 g/mol. Its IUPAC name is ethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID156502979
Molecular FormulaC11H10BrClN2O2
Molecular Weight317.57 g/mol
Exact Mass315.96
IUPAC Nameethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(Br)cc(CCl)c2n1
InChIInChI=1S/C11H10BrClN2O2/c1-2-17-11(16)9-6-15-5-8(12)3-7(4-13)10(15)14-9/h3,5-6H,2,4H2,1H3
InChIKeyLEETWIMXBKHUTD-UHFFFAOYSA-N
XLogP3.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 19701330
ethyl 6,8-dichloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 90484321
ethyl 6-amino-8-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 131365721
ethyl 6-chloro-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 154730382
ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969
ethyl 5-bromo-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134674811
ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine
CID 165132115
ethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 71741988
ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 14761405
ethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate
CID 14207614
ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate
CID 82590214
ethyl 2-trimethylsilylimidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 125474023

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 156502979) is ethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(Br)cc(CCl)c2n1.
What is the InChIKey of ethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is LEETWIMXBKHUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2/c1-2-17-11(16)9-6-15-5-8(12)3-7(4-13)10(15)14-9/h3,5-6H,2,4H2,1H3.
What are the key properties of ethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 317.57 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 156502979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).