ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate

C15H12FNO2 — CID 122209885

IUPACethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate
SMILESCCOC(=O)c1c2ccccc2c2ccc(F)cn12
InChIInChI=1S/C15H12FNO2/c1-2-19-15(18)14-12-6-4-3-5-11(12)13-8-7-10(16)9-17(13)14/h3-9H,2H2,1H3
InChIKeyKUVQNNDHAOFGRA-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.41
Rot. Bonds2

About ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate

ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate (PubChem CID 122209885) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate
PubChem CID122209885
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Nameethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate
SMILESCCOC(=O)c1c2ccccc2c2ccc(F)cn12
InChIInChI=1S/C15H12FNO2/c1-2-19-15(18)14-12-6-4-3-5-11(12)13-8-7-10(16)9-17(13)14/h3-9H,2H2,1H3
InChIKeyKUVQNNDHAOFGRA-UHFFFAOYSA-N
XLogP3.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 118674805
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 6-fluoroimidazo[1,5-a]pyridine-1-carboxylate
CID 155920991
diethyl 1-(4-fluorophenyl)-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 71598928
ethyl 1,3-dichloroindole-2-carboxylate
CID 67415286
ethyl 3-methoxy-1-methylindole-2-carboxylate
CID 12619890
ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate
CID 66667458
ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate
CID 10968558
ethyl 5-fluoro-1-methylindole-2-carboxylate
CID 10775338
ethyl 1-bromo-3-chloroindole-2-carboxylate
CID 90912569
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572

Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate?
The IUPAC name of ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate (CID 122209885) is ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate.
What is the SMILES notation for ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate?
The canonical SMILES for ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate is CCOC(=O)c1c2ccccc2c2ccc(F)cn12.
What is the InChIKey of ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate?
The InChIKey is KUVQNNDHAOFGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-2-19-15(18)14-12-6-4-3-5-11(12)13-8-7-10(16)9-17(13)14/h3-9H,2H2,1H3.
What are the key properties of ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate?
ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate has a molecular weight of 257.26 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate is sourced from PubChem (CID 122209885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).