methyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate

C16H13ClN2O3 — CID 117255825

IUPACmethyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(COc3cccc(Cl)c3)cn12
InChIInChI=1S/C16H13ClN2O3/c1-21-16(20)14-6-3-7-15-18-12(9-19(14)15)10-22-13-5-2-4-11(17)8-13/h2-9H,10H2,1H3
InChIKeyVPKWLXHQABDCSU-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.35
Rot. Bonds4

About methyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate

methyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 117255825) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is methyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID117255825
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Namemethyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(COc3cccc(Cl)c3)cn12
InChIInChI=1S/C16H13ClN2O3/c1-21-16(20)14-6-3-7-15-18-12(9-19(14)15)10-22-13-5-2-4-11(17)8-13/h2-9H,10H2,1H3
InChIKeyVPKWLXHQABDCSU-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

methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255839
methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255815
2-[(3-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255822
5-chloro-2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine
CID 117255753
2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255832
methyl 2-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257668
4-[(3-chlorophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole
CID 117191931
methyl 2-(3-hydroxyphenyl)imidazo[1,2-a]pyridine-5-carboxylate
CID 117133044
2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117132642
methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117256025
methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 67449555
methyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257664

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate (CID 117255825) is methyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1cccc2nc(COc3cccc(Cl)c3)cn12.
What is the InChIKey of methyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is VPKWLXHQABDCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-21-16(20)14-6-3-7-15-18-12(9-19(14)15)10-22-13-5-2-4-11(17)8-13/h2-9H,10H2,1H3.
What are the key properties of methyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
methyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-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-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 117255825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).