ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate

C10H8BrClN2O2 — CID 5260614

IUPACethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(Cl)cn2c1Br
InChIInChI=1S/C10H8BrClN2O2/c1-2-16-10(15)8-9(11)14-5-6(12)3-4-7(14)13-8/h3-5H,2H2,1H3
InChIKeyPEINUXVIHDZXNP-UHFFFAOYSA-N
MW303.54 g/mol
LogP2.93
Rot. Bonds2

About ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate

ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 5260614) has the molecular formula C10H8BrClN2O2 and a molecular weight of 303.54 g/mol. Its IUPAC name is ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID5260614
Molecular FormulaC10H8BrClN2O2
Molecular Weight303.54 g/mol
Exact Mass301.95
IUPAC Nameethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(Cl)cn2c1Br
InChIInChI=1S/C10H8BrClN2O2/c1-2-16-10(15)8-9(11)14-5-6(12)3-4-7(14)13-8/h3-5H,2H2,1H3
InChIKeyPEINUXVIHDZXNP-UHFFFAOYSA-N
XLogP2.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 46948729
ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate
CID 90411244
ethyl 3-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82055311
ethyl 11-chloro-5-hydroxy-3-thia-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxylate
CID 90481542
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782
ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate
CID 16807449
ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 14761410
ethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate
CID 121229225
ethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate
CID 67032003
ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 57020246
ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 82356768

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate (CID 5260614) is ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2ccc(Cl)cn2c1Br.
What is the InChIKey of ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is PEINUXVIHDZXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O2/c1-2-16-10(15)8-9(11)14-5-6(12)3-4-7(14)13-8/h3-5H,2H2,1H3.
What are the key properties of ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 303.54 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 5260614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).