9h-Pyrido (3,4)-indole

C11H8N2 — CID 129717795

IUPAC9H-pyrrolo[2,3-f]isoquinoline
SMILESC1C=NC=C2C1=C3C(=CC=N3)C=C2
InChIInChI=1S/C11H8N2/c1-2-9-7-12-5-4-10(9)11-8(1)3-6-13-11/h1-3,5-7H,4H2
InChIKeyZHJYTAVMFPBNRW-UHFFFAOYSA-N
MW168.19 g/mol
LogP-0.80
Rot. Bonds

About 9h-Pyrido (3,4)-indole

9h-Pyrido (3,4)-indole (PubChem CID 129717795) has the molecular formula C11H8N2 and a molecular weight of 168.19 g/mol. Its IUPAC name is 9H-pyrrolo[2,3-f]isoquinoline.

Molecular Properties

Compound Name9h-Pyrido (3,4)-indole
PubChem CID129717795
Molecular FormulaC11H8N2
Molecular Weight168.19 g/mol
Exact Mass168.07
IUPAC Name9H-pyrrolo[2,3-f]isoquinoline
SMILESC1C=NC=C2C1=C3C(=CC=N3)C=C2
InChIInChI=1S/C11H8N2/c1-2-9-7-12-5-4-10(9)11-8(1)3-6-13-11/h1-3,5-7H,4H2
InChIKeyZHJYTAVMFPBNRW-UHFFFAOYSA-N
XLogP-0.80
TPSA24.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity443

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9h-Pyrido (3,4)-indole 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

Tetrahydroquinoline
CID 94356
9H-Pyrido[4,3-b]indole
CID 15897929
1-Methyl-9H-pyrido[4,3-b]indole
CID 15897930
Pyrrolo[2,3-c]carbazole
CID 19960015
Pyrrolo-[3,2-f]indole
CID 21252023
1h Pyrido[4,3 b]indole hydrochloride
CID 21499446
1h Pyrido[4,3 b]indole
CID 21499447
Pyrrolo[3,2-b]carbazole
CID 21886979
Indoloindole
CID 21887135
Pyrrolo[2,3-a]carbazole
CID 21887182
Pyrrolo[3,4 b]carbazole
CID 21887215
Pyrrolo[3,4-c]carbazole
CID 21887285

Frequently Asked Questions

What is the IUPAC name of 9h-Pyrido (3,4)-indole?
The IUPAC name of 9h-Pyrido (3,4)-indole (CID 129717795) is 9H-pyrrolo[2,3-f]isoquinoline.
What is the SMILES notation for 9h-Pyrido (3,4)-indole?
The canonical SMILES for 9h-Pyrido (3,4)-indole is C1C=NC=C2C1=C3C(=CC=N3)C=C2.
What is the InChIKey of 9h-Pyrido (3,4)-indole?
The InChIKey is ZHJYTAVMFPBNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-2-9-7-12-5-4-10(9)11-8(1)3-6-13-11/h1-3,5-7H,4H2.
What are the key properties of 9h-Pyrido (3,4)-indole?
9h-Pyrido (3,4)-indole has a molecular weight of 168.19 g/mol, XLogP of -0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9h-Pyrido (3,4)-indole is sourced from PubChem (CID 129717795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).