ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate

C14H15ClN2O2 — CID 139487362

IUPACethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)cn2cc(CCl)nc12
InChIInChI=1S/C14H15ClN2O2/c1-2-19-14(18)12-5-10(9-3-4-9)7-17-8-11(6-15)16-13(12)17/h5,7-9H,2-4,6H2,1H3
InChIKeyXWNVBDHKNHXAAV-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.13
Rot. Bonds4

About ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate

ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 139487362) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID139487362
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Nameethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)cn2cc(CCl)nc12
InChIInChI=1S/C14H15ClN2O2/c1-2-19-14(18)12-5-10(9-3-4-9)7-17-8-11(6-15)16-13(12)17/h5,7-9H,2-4,6H2,1H3
InChIKeyXWNVBDHKNHXAAV-UHFFFAOYSA-N
XLogP3.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.13
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

methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride
CID 165131040
[8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate
CID 175507912
ethyl 2-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
CID 165131768
2-(chloromethyl)-6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridine
CID 139487322
ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine
CID 165132115
ethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate
CID 165131953
1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone
CID 165131814
ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate
CID 165130837
1-(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)-N-methylmethanamine
CID 175623441
[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate
CID 170774692
benzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
CID 139487461
benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
CID 153431050

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate (CID 139487362) is ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate is CCOC(=O)c1cc(C2CC2)cn2cc(CCl)nc12.
What is the InChIKey of ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is XWNVBDHKNHXAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-19-14(18)12-5-10(9-3-4-9)7-17-8-11(6-15)16-13(12)17/h5,7-9H,2-4,6H2,1H3.
What are the key properties of ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate?
ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 278.74 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 139487362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).