7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole

C11H9FN2 — CID 130064999

IUPAC7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole
SMILESFc1ccc2c3c([nH]c2c1)C=NCC3
InChIInChI=1S/C11H9FN2/c12-7-1-2-8-9-3-4-13-6-11(9)14-10(8)5-7/h1-2,5-6,14H,3-4H2
InChIKeyGFFZAUXNVNLFSD-UHFFFAOYSA-N
MW188.21 g/mol
LogP2.28
Rot. Bonds

About 7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole

7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole (PubChem CID 130064999) has the molecular formula C11H9FN2 and a molecular weight of 188.21 g/mol. Its IUPAC name is 7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole
PubChem CID130064999
Molecular FormulaC11H9FN2
Molecular Weight188.21 g/mol
Exact Mass188.07
IUPAC Name7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole
SMILESFc1ccc2c3c([nH]c2c1)C=NCC3
InChIInChI=1S/C11H9FN2/c12-7-1-2-8-9-3-4-13-6-11(9)14-10(8)5-7/h1-2,5-6,14H,3-4H2
InChIKeyGFFZAUXNVNLFSD-UHFFFAOYSA-N
XLogP2.28
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole?
The IUPAC name of 7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole (CID 130064999) is 7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole.
What is the SMILES notation for 7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole?
The canonical SMILES for 7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole is Fc1ccc2c3c([nH]c2c1)C=NCC3.
What is the InChIKey of 7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole?
The InChIKey is GFFZAUXNVNLFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2/c12-7-1-2-8-9-3-4-13-6-11(9)14-10(8)5-7/h1-2,5-6,14H,3-4H2.
What are the key properties of 7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole?
7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole has a molecular weight of 188.21 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4,9-dihydro-3H-pyrido[3,4-b]indole is sourced from PubChem (CID 130064999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).