ethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate

C17H13F3N2O2 — CID 118573148

IUPACethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)c2ccccn2c1-c1ccccn1
InChIInChI=1S/C17H13F3N2O2/c1-2-24-16(23)13-14(17(18,19)20)12-8-4-6-10-22(12)15(13)11-7-3-5-9-21-11/h3-10H,2H2,1H3
InChIKeySABRQSTXXAJBRF-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.20
Rot. Bonds3

About ethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate

ethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate (PubChem CID 118573148) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is ethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate
PubChem CID118573148
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Nameethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)c2ccccn2c1-c1ccccn1
InChIInChI=1S/C17H13F3N2O2/c1-2-24-16(23)13-14(17(18,19)20)12-8-4-6-10-22(12)15(13)11-7-3-5-9-21-11/h3-10H,2H2,1H3
InChIKeySABRQSTXXAJBRF-UHFFFAOYSA-N
XLogP4.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate?
The IUPAC name of ethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate (CID 118573148) is ethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate.
What is the SMILES notation for ethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate?
The canonical SMILES for ethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate is CCOC(=O)c1c(C(F)(F)F)c2ccccn2c1-c1ccccn1.
What is the InChIKey of ethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate?
The InChIKey is SABRQSTXXAJBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-2-24-16(23)13-14(17(18,19)20)12-8-4-6-10-22(12)15(13)11-7-3-5-9-21-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate?
ethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate has a molecular weight of 334.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-pyridin-2-yl-1-(trifluoromethyl)indolizine-2-carboxylate is sourced from PubChem (CID 118573148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).