ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate

C17H14F2N2O2 — CID 58208449

IUPACethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cccn2cc(-c3ccc(C(F)F)cc3)nc12
InChIInChI=1S/C17H14F2N2O2/c1-2-23-17(22)13-4-3-9-21-10-14(20-16(13)21)11-5-7-12(8-6-11)15(18)19/h3-10,15H,2H2,1H3
InChIKeyRBRFHVUPDJZRIX-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.12
Rot. Bonds4

About ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate

ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 58208449) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID58208449
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Nameethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cccn2cc(-c3ccc(C(F)F)cc3)nc12
InChIInChI=1S/C17H14F2N2O2/c1-2-23-17(22)13-4-3-9-21-10-14(20-16(13)21)11-5-7-12(8-6-11)15(18)19/h3-10,15H,2H2,1H3
InChIKeyRBRFHVUPDJZRIX-UHFFFAOYSA-N
XLogP4.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
CID 67768891
ethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 58208423
ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 59280012
ethyl 8-carbamoylimidazo[1,2-a]pyridine-2-carboxylate
CID 143716769
ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
CID 110704737
CID 158999175
CID 158999175
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117137722
ethyl 2-phenylindolizine-8-carboxylate
CID 15562881
ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969
CID 70300240
CID 70300240
ethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate
CID 131988344
ethyl 2-(4-propan-2-ylphenyl)benzoate
CID 59820247

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate (CID 58208449) is ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate is CCOC(=O)c1cccn2cc(-c3ccc(C(F)F)cc3)nc12.
What is the InChIKey of ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is RBRFHVUPDJZRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c1-2-23-17(22)13-4-3-9-21-10-14(20-16(13)21)11-5-7-12(8-6-11)15(18)19/h3-10,15H,2H2,1H3.
What are the key properties of ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate?
ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 316.31 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 58208449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).