8-fluoro-1-methylisoquinolin-3-amine

C10H9FN2 — CID 53419053

IUPAC8-fluoro-1-methylisoquinolin-3-amine
SMILESCc1nc(N)cc2cccc(F)c12
InChIInChI=1S/C10H9FN2/c1-6-10-7(5-9(12)13-6)3-2-4-8(10)11/h2-5H,1H3,(H2,12,13)
InChIKeyJRLAZVNJRFSDMT-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.26
Rot. Bonds

About 8-fluoro-1-methylisoquinolin-3-amine

8-fluoro-1-methylisoquinolin-3-amine (PubChem CID 53419053) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 8-fluoro-1-methylisoquinolin-3-amine.

Molecular Properties

Compound Name8-fluoro-1-methylisoquinolin-3-amine
PubChem CID53419053
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name8-fluoro-1-methylisoquinolin-3-amine
SMILESCc1nc(N)cc2cccc(F)c12
InChIInChI=1S/C10H9FN2/c1-6-10-7(5-9(12)13-6)3-2-4-8(10)11/h2-5H,1H3,(H2,12,13)
InChIKeyJRLAZVNJRFSDMT-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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-methylisoquinolin-3-amine?
The IUPAC name of 8-fluoro-1-methylisoquinolin-3-amine (CID 53419053) is 8-fluoro-1-methylisoquinolin-3-amine.
What is the SMILES notation for 8-fluoro-1-methylisoquinolin-3-amine?
The canonical SMILES for 8-fluoro-1-methylisoquinolin-3-amine is Cc1nc(N)cc2cccc(F)c12.
What is the InChIKey of 8-fluoro-1-methylisoquinolin-3-amine?
The InChIKey is JRLAZVNJRFSDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-6-10-7(5-9(12)13-6)3-2-4-8(10)11/h2-5H,1H3,(H2,12,13).
What are the key properties of 8-fluoro-1-methylisoquinolin-3-amine?
8-fluoro-1-methylisoquinolin-3-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-3-amine is sourced from PubChem (CID 53419053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).