ethyl 2-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylate

C19H16F2N2O4 — CID 67549111

IUPACethyl 2-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C=Cc2cccc(OC(F)F)c2O)nc2ccccn12
InChIInChI=1S/C19H16F2N2O4/c1-2-26-18(25)16-13(22-15-8-3-4-11-23(15)16)10-9-12-6-5-7-14(17(12)24)27-19(20)21/h3-11,19,24H,2H2,1H3
InChIKeyNKBSVNAAVHCEMD-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.99
Rot. Bonds6

About ethyl 2-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 2-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 67549111) has the molecular formula C19H16F2N2O4 and a molecular weight of 374.34 g/mol. Its IUPAC name is ethyl 2-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID67549111
Molecular FormulaC19H16F2N2O4
Molecular Weight374.34 g/mol
Exact Mass374.11
IUPAC Nameethyl 2-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C=Cc2cccc(OC(F)F)c2O)nc2ccccn12
InChIInChI=1S/C19H16F2N2O4/c1-2-26-18(25)16-13(22-15-8-3-4-11-23(15)16)10-9-12-6-5-7-14(17(12)24)27-19(20)21/h3-11,19,24H,2H2,1H3
InChIKeyNKBSVNAAVHCEMD-UHFFFAOYSA-N
XLogP3.99
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 59369932
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 6-[2-[2-(cyclobutylmethoxy)-3-(difluoromethoxy)phenyl]ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 67549159
ethyl 2-bromoimidazo[1,2-a]pyridine-3-carboxylate
CID 131383872
ethyl 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 10108596
ethyl 2-(4-hydroxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 21280357
3-ethyl-4-oxo-2-[2-(2-propan-2-yloxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 56621074
3-ethyl-4-oxo-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531127
ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate
CID 75480680
ethyl 3-[2-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxylate
CID 63381732
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate
CID 67953969

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylate (CID 67549111) is ethyl 2-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C=Cc2cccc(OC(F)F)c2O)nc2ccccn12.
What is the InChIKey of ethyl 2-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is NKBSVNAAVHCEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O4/c1-2-26-18(25)16-13(22-15-8-3-4-11-23(15)16)10-9-12-6-5-7-14(17(12)24)27-19(20)21/h3-11,19,24H,2H2,1H3.
What are the key properties of ethyl 2-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 2-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 374.34 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-(difluoromethoxy)-2-hydroxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 67549111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).