methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate

C16H13ClN2O3 — CID 117256742

IUPACmethyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(COc3ccccc3Cl)nc12
InChIInChI=1S/C16H13ClN2O3/c1-21-16(20)12-5-4-8-19-9-11(18-15(12)19)10-22-14-7-3-2-6-13(14)17/h2-9H,10H2,1H3
InChIKeyHERXBLIFRNCTBD-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.35
Rot. Bonds4

About methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate

methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 117256742) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID117256742
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Namemethyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(COc3ccccc3Cl)nc12
InChIInChI=1S/C16H13ClN2O3/c1-21-16(20)12-5-4-8-19-9-11(18-15(12)19)10-22-14-7-3-2-6-13(14)17/h2-9H,10H2,1H3
InChIKeyHERXBLIFRNCTBD-UHFFFAOYSA-N
XLogP3.35
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256740
1-[2-[(8-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]ethanone
CID 82529670
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256766
methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 56781581
methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137830
methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255815
N-(2-chloro-4-fluorophenyl)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 24617117
methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 95612525
N-ethyl-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 134005773
N-(2-amino-2-methylpropyl)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 119628901
N-[2-(methylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
CID 119502756
methyl 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137725

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate (CID 117256742) is methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cccn2cc(COc3ccccc3Cl)nc12.
What is the InChIKey of methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is HERXBLIFRNCTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-21-16(20)12-5-4-8-19-9-11(18-15(12)19)10-22-14-7-3-2-6-13(14)17/h2-9H,10H2,1H3.
What are the key properties of methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate?
methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 316.74 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 117256742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).