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

C11H11BrN2O2 — CID 12872594

IUPACethyl 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2ccc(Br)cn12
InChIInChI=1S/C11H11BrN2O2/c1-3-16-11(15)10-7(2)13-9-5-4-8(12)6-14(9)10/h4-6H,3H2,1-2H3
InChIKeyBIAJKYQDKAHEME-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.58
Rot. Bonds2

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

ethyl 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 12872594) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.13 g/mol. Its IUPAC name is ethyl 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID12872594
Molecular FormulaC11H11BrN2O2
Molecular Weight283.13 g/mol
Exact Mass282.00
IUPAC Nameethyl 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2ccc(Br)cn12
InChIInChI=1S/C11H11BrN2O2/c1-3-16-11(15)10-7(2)13-9-5-4-8(12)6-14(9)10/h4-6H,3H2,1-2H3
InChIKeyBIAJKYQDKAHEME-UHFFFAOYSA-N
XLogP2.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate (CID 12872594) is ethyl 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2ccc(Br)cn12.
What is the InChIKey of ethyl 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is BIAJKYQDKAHEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-3-16-11(15)10-7(2)13-9-5-4-8(12)6-14(9)10/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 283.13 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 12872594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).