8-fluoro-1-methylisoquinolin-5-amine

C10H9FN2 — CID 115014664

IUPAC8-fluoro-1-methylisoquinolin-5-amine
SMILESCc1nccc2c(N)ccc(F)c12
InChIInChI=1S/C10H9FN2/c1-6-10-7(4-5-13-6)9(12)3-2-8(10)11/h2-5H,12H2,1H3
InChIKeyHSZRSJMSVMDMPK-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.26
Rot. Bonds

About 8-fluoro-1-methylisoquinolin-5-amine

8-fluoro-1-methylisoquinolin-5-amine (PubChem CID 115014664) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 8-fluoro-1-methylisoquinolin-5-amine.

Molecular Properties

Compound Name8-fluoro-1-methylisoquinolin-5-amine
PubChem CID115014664
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name8-fluoro-1-methylisoquinolin-5-amine
SMILESCc1nccc2c(N)ccc(F)c12
InChIInChI=1S/C10H9FN2/c1-6-10-7(4-5-13-6)9(12)3-2-8(10)11/h2-5H,12H2,1H3
InChIKeyHSZRSJMSVMDMPK-UHFFFAOYSA-N
XLogP2.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 8-fluoro-1-methylisoquinolin-5-amine 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 8-fluoro-1-methylisoquinolin-5-amine?
The IUPAC name of 8-fluoro-1-methylisoquinolin-5-amine (CID 115014664) is 8-fluoro-1-methylisoquinolin-5-amine.
What is the SMILES notation for 8-fluoro-1-methylisoquinolin-5-amine?
The canonical SMILES for 8-fluoro-1-methylisoquinolin-5-amine is Cc1nccc2c(N)ccc(F)c12.
What is the InChIKey of 8-fluoro-1-methylisoquinolin-5-amine?
The InChIKey is HSZRSJMSVMDMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-6-10-7(4-5-13-6)9(12)3-2-8(10)11/h2-5H,12H2,1H3.
What are the key properties of 8-fluoro-1-methylisoquinolin-5-amine?
8-fluoro-1-methylisoquinolin-5-amine has a molecular weight of 176.19 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-methylisoquinolin-5-amine is sourced from PubChem (CID 115014664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).