ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate

C12H14N2O2 — CID 682232

IUPACethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cc(C)ccn12
InChIInChI=1S/C12H14N2O2/c1-4-16-12(15)11-9(3)13-10-7-8(2)5-6-14(10)11/h5-7H,4H2,1-3H3
InChIKeyCQNUHMHESISBRX-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.13
Rot. Bonds2

About ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate

ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 682232) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID682232
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Nameethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cc(C)ccn12
InChIInChI=1S/C12H14N2O2/c1-4-16-12(15)11-9(3)13-10-7-8(2)5-6-14(10)11/h5-7H,4H2,1-3H3
InChIKeyCQNUHMHESISBRX-UHFFFAOYSA-N
XLogP2.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate (CID 682232) is ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2cc(C)ccn12.
What is the InChIKey of ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is CQNUHMHESISBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-4-16-12(15)11-9(3)13-10-7-8(2)5-6-14(10)11/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 218.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 682232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).