8-fluoro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole

C17H14F2N2 — CID 12629906

IUPAC8-fluoro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESFc1ccc(-n2c3c(c4cc(F)ccc42)CNCC3)cc1
InChIInChI=1S/C17H14F2N2/c18-11-1-4-13(5-2-11)21-16-6-3-12(19)9-14(16)15-10-20-8-7-17(15)21/h1-6,9,20H,7-8,10H2
InChIKeyKSTQTBPDPFIZBT-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.55
Rot. Bonds1

About 8-fluoro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole

8-fluoro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 12629906) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 8-fluoro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-fluoro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID12629906
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC Name8-fluoro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESFc1ccc(-n2c3c(c4cc(F)ccc42)CNCC3)cc1
InChIInChI=1S/C17H14F2N2/c18-11-1-4-13(5-2-11)21-16-6-3-12(19)9-14(16)15-10-20-8-7-17(15)21/h1-6,9,20H,7-8,10H2
InChIKeyKSTQTBPDPFIZBT-UHFFFAOYSA-N
XLogP3.55
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-fluoro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 12629906) is 8-fluoro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-fluoro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-fluoro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole is Fc1ccc(-n2c3c(c4cc(F)ccc42)CNCC3)cc1.
What is the InChIKey of 8-fluoro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is KSTQTBPDPFIZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c18-11-1-4-13(5-2-11)21-16-6-3-12(19)9-14(16)15-10-20-8-7-17(15)21/h1-6,9,20H,7-8,10H2.
What are the key properties of 8-fluoro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
8-fluoro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 284.31 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 12629906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).