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

C11H11ClN2O2 — CID 800334

IUPACethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2ccc(Cl)cn12
InChIInChI=1S/C11H11ClN2O2/c1-3-16-11(15)10-7(2)13-9-5-4-8(12)6-14(9)10/h4-6H,3H2,1-2H3
InChIKeyCCUPMKHLKAODHI-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.47
Rot. Bonds2

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

ethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 800334) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is ethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID800334
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Nameethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2ccc(Cl)cn12
InChIInChI=1S/C11H11ClN2O2/c1-3-16-11(15)10-7(2)13-9-5-4-8(12)6-14(9)10/h4-6H,3H2,1-2H3
InChIKeyCCUPMKHLKAODHI-UHFFFAOYSA-N
XLogP2.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate (CID 800334) is ethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2ccc(Cl)cn12.
What is the InChIKey of ethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is CCUPMKHLKAODHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/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-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 238.67 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 800334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).