ethyl 8-[(2,6-difluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate

C17H14F2N2O3 — CID 86717889

IUPACethyl 8-[(2,6-difluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OCc3c(F)cccc3F)cccn12
InChIInChI=1S/C17H14F2N2O3/c1-2-23-17(22)14-9-20-16-15(7-4-8-21(14)16)24-10-11-12(18)5-3-6-13(11)19/h3-9H,2,10H2,1H3
InChIKeyPKCVZLBZYZMGRM-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.37
Rot. Bonds5

About ethyl 8-[(2,6-difluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 8-[(2,6-difluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 86717889) has the molecular formula C17H14F2N2O3 and a molecular weight of 332.31 g/mol. Its IUPAC name is ethyl 8-[(2,6-difluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-[(2,6-difluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID86717889
Molecular FormulaC17H14F2N2O3
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Nameethyl 8-[(2,6-difluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OCc3c(F)cccc3F)cccn12
InChIInChI=1S/C17H14F2N2O3/c1-2-23-17(22)14-9-20-16-15(7-4-8-21(14)16)24-10-11-12(18)5-3-6-13(11)19/h3-9H,2,10H2,1H3
InChIKeyPKCVZLBZYZMGRM-UHFFFAOYSA-N
XLogP3.37
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Sch 28080
CID 108137
3-(8-Methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one
CID 767302
3-(7-Methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 830970
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
4-((Imidazo(1,2-a)pyridin-2-yl)methoxy)benzoic acid
CID 1278630
4-(Imidazo[1,2-a]pyridin-2-ylmethoxy)benzaldehyde
CID 739244
Ethyl 6-(3-fluorophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815678
Ethyl 6-(4-methylphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815681
Ethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate
CID 2815683
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(2,6-difluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 8-[(2,6-difluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate (CID 86717889) is ethyl 8-[(2,6-difluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-[(2,6-difluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 8-[(2,6-difluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2c(OCc3c(F)cccc3F)cccn12.
What is the InChIKey of ethyl 8-[(2,6-difluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is PKCVZLBZYZMGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3/c1-2-23-17(22)14-9-20-16-15(7-4-8-21(14)16)24-10-11-12(18)5-3-6-13(11)19/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 8-[(2,6-difluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 8-[(2,6-difluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 332.31 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[(2,6-difluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 86717889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).