ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate

C11H13F3N2O2 — CID 163390352

IUPACethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate
SMILESCCOC(=O)C1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C11H13F3N2O2/c1-2-18-10(17)7-3-4-16-6-8(11(12,13)14)15-9(16)5-7/h6-7H,2-5H2,1H3
InChIKeyLPDUNLBAFHHVHE-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.03
Rot. Bonds2

About ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate

ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 163390352) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate
PubChem CID163390352
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Nameethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate
SMILESCCOC(=O)C1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C11H13F3N2O2/c1-2-18-10(17)7-3-4-16-6-8(11(12,13)14)15-9(16)5-7/h6-7H,2-5H2,1H3
InChIKeyLPDUNLBAFHHVHE-UHFFFAOYSA-N
XLogP2.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate (CID 163390352) is ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate is CCOC(=O)C1CCn2cc(C(F)(F)F)nc2C1.
What is the InChIKey of ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is LPDUNLBAFHHVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-2-18-10(17)7-3-4-16-6-8(11(12,13)14)15-9(16)5-7/h6-7H,2-5H2,1H3.
What are the key properties of ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate?
ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 262.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 163390352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).