2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole

C13H15FN2 — CID 144821043

IUPAC2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCCN1CCc2c([nH]c3cc(F)ccc23)C1
InChIInChI=1S/C13H15FN2/c1-2-16-6-5-11-10-4-3-9(14)7-12(10)15-13(11)8-16/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyLKQWFJDVYRAMEG-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.68
Rot. Bonds1

About 2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole

2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 144821043) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID144821043
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCCN1CCc2c([nH]c3cc(F)ccc23)C1
InChIInChI=1S/C13H15FN2/c1-2-16-6-5-11-10-4-3-9(14)7-12(10)15-13(11)8-16/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyLKQWFJDVYRAMEG-UHFFFAOYSA-N
XLogP2.68
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 144821043) is 2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole is CCN1CCc2c([nH]c3cc(F)ccc23)C1.
What is the InChIKey of 2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is LKQWFJDVYRAMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-2-16-6-5-11-10-4-3-9(14)7-12(10)15-13(11)8-16/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of 2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole?
2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 218.28 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 144821043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).