ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate

C13H15ClN2O2 — CID 169245308

IUPACethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate
SMILESCCOC(=O)C(CC)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C13H15ClN2O2/c1-3-10(13(17)18-4-2)11-8-16-7-9(14)5-6-12(16)15-11/h5-8,10H,3-4H2,1-2H3
InChIKeyCSEMLNZWMDIGDO-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.04
Rot. Bonds4

About ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate

ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate (PubChem CID 169245308) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate
PubChem CID169245308
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Nameethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate
SMILESCCOC(=O)C(CC)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C13H15ClN2O2/c1-3-10(13(17)18-4-2)11-8-16-7-9(14)5-6-12(16)15-11/h5-8,10H,3-4H2,1-2H3
InChIKeyCSEMLNZWMDIGDO-UHFFFAOYSA-N
XLogP3.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine;ethenoxyethane
CID 169245227
ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
CID 42536529
ethyl 2-(6-chloro-1-methylbenzimidazol-2-yl)butanoate
CID 113316506
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate
CID 8911730
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 25405404
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexanamide
CID 47151010
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide
CID 115345098
ethyl 6-chloro-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 154730382
ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 5260614
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate
CID 24686105
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-propoxypropan-1-amine
CID 82943395

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate?
The IUPAC name of ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate (CID 169245308) is ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate.
What is the SMILES notation for ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate?
The canonical SMILES for ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate is CCOC(=O)C(CC)c1cn2cc(Cl)ccc2n1.
What is the InChIKey of ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate?
The InChIKey is CSEMLNZWMDIGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-3-10(13(17)18-4-2)11-8-16-7-9(14)5-6-12(16)15-11/h5-8,10H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate?
ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate has a molecular weight of 266.73 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)butanoate is sourced from PubChem (CID 169245308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).