8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

C17H15FN2 — CID 106821098

IUPAC8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESFc1ccc2[nH]c3c(c2c1)CN(c1ccccc1)CC3
InChIInChI=1S/C17H15FN2/c18-12-6-7-16-14(10-12)15-11-20(9-8-17(15)19-16)13-4-2-1-3-5-13/h1-7,10,19H,8-9,11H2
InChIKeyNILLVLZHTBRKHJ-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.87
Rot. Bonds1

About 8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 106821098) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID106821098
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESFc1ccc2[nH]c3c(c2c1)CN(c1ccccc1)CC3
InChIInChI=1S/C17H15FN2/c18-12-6-7-16-14(10-12)15-11-20(9-8-17(15)19-16)13-4-2-1-3-5-13/h1-7,10,19H,8-9,11H2
InChIKeyNILLVLZHTBRKHJ-UHFFFAOYSA-N
XLogP3.87
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.87
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 8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 106821098) is 8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is Fc1ccc2[nH]c3c(c2c1)CN(c1ccccc1)CC3.
What is the InChIKey of 8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is NILLVLZHTBRKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c18-12-6-7-16-14(10-12)15-11-20(9-8-17(15)19-16)13-4-2-1-3-5-13/h1-7,10,19H,8-9,11H2.
What are the key properties of 8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 266.32 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 106821098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).