ethyl 3-pyridin-2-ylindolizine-1-carboxylate

C16H14N2O2 — CID 154722576

IUPACethyl 3-pyridin-2-ylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)n2ccccc12
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)12-11-15(13-7-3-5-9-17-13)18-10-6-4-8-14(12)18/h3-11H,2H2,1H3
InChIKeyMTQCCDWLUFSLAT-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.18
Rot. Bonds3

About ethyl 3-pyridin-2-ylindolizine-1-carboxylate

ethyl 3-pyridin-2-ylindolizine-1-carboxylate (PubChem CID 154722576) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 3-pyridin-2-ylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-pyridin-2-ylindolizine-1-carboxylate
PubChem CID154722576
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Nameethyl 3-pyridin-2-ylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)n2ccccc12
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)12-11-15(13-7-3-5-9-17-13)18-10-6-4-8-14(12)18/h3-11H,2H2,1H3
InChIKeyMTQCCDWLUFSLAT-UHFFFAOYSA-N
XLogP3.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 3-(18O)benzoylindolizine-1-carboxylate
CID 154722794
ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate
CID 142749731
ethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate
CID 71552134
ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate
CID 56590056
3-[(1-ethoxycarbonylindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid
CID 141317092
diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium
CID 174651960
ethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate
CID 167062778
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724
ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate
CID 146270718
ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate
CID 175101033

Frequently Asked Questions

What is the IUPAC name of ethyl 3-pyridin-2-ylindolizine-1-carboxylate?
The IUPAC name of ethyl 3-pyridin-2-ylindolizine-1-carboxylate (CID 154722576) is ethyl 3-pyridin-2-ylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-pyridin-2-ylindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-pyridin-2-ylindolizine-1-carboxylate is CCOC(=O)c1cc(-c2ccccn2)n2ccccc12.
What is the InChIKey of ethyl 3-pyridin-2-ylindolizine-1-carboxylate?
The InChIKey is MTQCCDWLUFSLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-20-16(19)12-11-15(13-7-3-5-9-17-13)18-10-6-4-8-14(12)18/h3-11H,2H2,1H3.
What are the key properties of ethyl 3-pyridin-2-ylindolizine-1-carboxylate?
ethyl 3-pyridin-2-ylindolizine-1-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 3.18, 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-ylindolizine-1-carboxylate is sourced from PubChem (CID 154722576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).