ethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate

C13H11F3N2O2 — CID 59334511

IUPACethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate
SMILESCCOC(=O)/C=C\c1cccc2nc(C(F)(F)F)cn12
InChIInChI=1S/C13H11F3N2O2/c1-2-20-12(19)7-6-9-4-3-5-11-17-10(8-18(9)11)13(14,15)16/h3-8H,2H2,1H3/b7-6-
InChIKeyWDVWRHGRMMTILA-SREVYHEPSA-N
MW284.24 g/mol
LogP2.93
Rot. Bonds3

About ethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate

ethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate (PubChem CID 59334511) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is ethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate
PubChem CID59334511
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Nameethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate
SMILESCCOC(=O)/C=C\c1cccc2nc(C(F)(F)F)cn12
InChIInChI=1S/C13H11F3N2O2/c1-2-20-12(19)7-6-9-4-3-5-11-17-10(8-18(9)11)13(14,15)16/h3-8H,2H2,1H3/b7-6-
InChIKeyWDVWRHGRMMTILA-SREVYHEPSA-N
XLogP2.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate (CID 59334511) is ethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate is CCOC(=O)/C=C\c1cccc2nc(C(F)(F)F)cn12.
What is the InChIKey of ethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate?
The InChIKey is WDVWRHGRMMTILA-SREVYHEPSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-2-20-12(19)7-6-9-4-3-5-11-17-10(8-18(9)11)13(14,15)16/h3-8H,2H2,1H3/b7-6-.
What are the key properties of ethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate?
ethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate has a molecular weight of 284.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate is sourced from PubChem (CID 59334511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).