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

C11H9ClF2N2O2 — CID 154582050

IUPACethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)nc2c(Cl)cccn12
InChIInChI=1S/C11H9ClF2N2O2/c1-2-18-11(17)8-7(9(13)14)15-10-6(12)4-3-5-16(8)10/h3-5,9H,2H2,1H3
InChIKeyMRLGSIHWKQFKDE-UHFFFAOYSA-N
MW274.65 g/mol
LogP3.10
Rot. Bonds3

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

ethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 154582050) has the molecular formula C11H9ClF2N2O2 and a molecular weight of 274.65 g/mol. Its IUPAC name is ethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID154582050
Molecular FormulaC11H9ClF2N2O2
Molecular Weight274.65 g/mol
Exact Mass274.03
IUPAC Nameethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)nc2c(Cl)cccn12
InChIInChI=1S/C11H9ClF2N2O2/c1-2-18-11(17)8-7(9(13)14)15-10-6(12)4-3-5-16(8)10/h3-5,9H,2H2,1H3
InChIKeyMRLGSIHWKQFKDE-UHFFFAOYSA-N
XLogP3.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.65
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 154814169
8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 82529717
ethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 57170960
ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid
CID 91757252
ethyl 2-[8-chloro-3-(cyanomethyl)imidazo[1,2-a]pyridin-2-yl]acetate
CID 82529282
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 134663788
ethyl 2-(2,3-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199087
ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134661763
ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 57020246
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134677140
ethyl 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134662410

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate (CID 154582050) is ethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C(F)F)nc2c(Cl)cccn12.
What is the InChIKey of ethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is MRLGSIHWKQFKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2O2/c1-2-18-11(17)8-7(9(13)14)15-10-6(12)4-3-5-16(8)10/h3-5,9H,2H2,1H3.
What are the key properties of ethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 274.65 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 154582050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).