ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate

C11H11ClN2O2 — CID 19701330

IUPACethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cccc(CCl)c2n1
InChIInChI=1S/C11H11ClN2O2/c1-2-16-11(15)9-7-14-5-3-4-8(6-12)10(14)13-9/h3-5,7H,2,6H2,1H3
InChIKeyXSDRGRCKRZUSGQ-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.25
Rot. Bonds3

About ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate

ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 19701330) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID19701330
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Nameethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cccc(CCl)c2n1
InChIInChI=1S/C11H11ClN2O2/c1-2-16-11(15)9-7-14-5-3-4-8(6-12)10(14)13-9/h3-5,7H,2,6H2,1H3
InChIKeyXSDRGRCKRZUSGQ-UHFFFAOYSA-N
XLogP2.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969
ethyl 8-carbamoylimidazo[1,2-a]pyridine-2-carboxylate
CID 143716769
CID 70300240
CID 70300240
ethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 156502979
ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate
CID 170452736
ethyl 6,8-dichloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 90484321
ethyl 6-amino-8-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 131365721
ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 59280012
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 6-chloro-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 154730382
ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
CID 67768891
ethyl 8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 14207617

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 19701330) is ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cccc(CCl)c2n1.
What is the InChIKey of ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is XSDRGRCKRZUSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-2-16-11(15)9-7-14-5-3-4-8(6-12)10(14)13-9/h3-5,7H,2,6H2,1H3.
What are the key properties of ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 238.67 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 19701330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).