ethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate

C11H8BrClF2N2O2 — CID 154814169

IUPACethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)nc2c(Br)cc(Cl)cn12
InChIInChI=1S/C11H8BrClF2N2O2/c1-2-19-11(18)8-7(9(14)15)16-10-6(12)3-5(13)4-17(8)10/h3-4,9H,2H2,1H3
InChIKeyYNGBJCMFYFOLDJ-UHFFFAOYSA-N
MW353.55 g/mol
LogP3.86
Rot. Bonds3

About ethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate

ethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 154814169) has the molecular formula C11H8BrClF2N2O2 and a molecular weight of 353.55 g/mol. Its IUPAC name is ethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID154814169
Molecular FormulaC11H8BrClF2N2O2
Molecular Weight353.55 g/mol
Exact Mass351.94
IUPAC Nameethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)nc2c(Br)cc(Cl)cn12
InChIInChI=1S/C11H8BrClF2N2O2/c1-2-19-11(18)8-7(9(14)15)16-10-6(12)3-5(13)4-17(8)10/h3-4,9H,2H2,1H3
InChIKeyYNGBJCMFYFOLDJ-UHFFFAOYSA-N
XLogP3.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 154582050
ethyl 3-bromo-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685236
ethyl 2-(2-bromo-4-chlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 107995262
ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 134670794
ethyl 2-bromo-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 134684348
ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134658559
ethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 10971097
ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134677140
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685610
ethyl 2,6-dibromo-4-chlorobenzoate
CID 171033804
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 134663788
6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82531008

Frequently Asked Questions

What is the IUPAC name of ethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate (CID 154814169) is ethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C(F)F)nc2c(Br)cc(Cl)cn12.
What is the InChIKey of ethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is YNGBJCMFYFOLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClF2N2O2/c1-2-19-11(18)8-7(9(14)15)16-10-6(12)3-5(13)4-17(8)10/h3-4,9H,2H2,1H3.
What are the key properties of ethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 353.55 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 154814169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).