6-bromo-8-methylisoquinolin-3-amine

C10H9BrN2 — CID 58082294

IUPAC6-bromo-8-methylisoquinolin-3-amine
SMILESCc1cc(Br)cc2cc(N)ncc12
InChIInChI=1S/C10H9BrN2/c1-6-2-8(11)3-7-4-10(12)13-5-9(6)7/h2-5H,1H3,(H2,12,13)
InChIKeyQGGROPHUYHSBKF-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.89
Rot. Bonds

About 6-bromo-8-methylisoquinolin-3-amine

6-bromo-8-methylisoquinolin-3-amine (PubChem CID 58082294) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 6-bromo-8-methylisoquinolin-3-amine.

Molecular Properties

Compound Name6-bromo-8-methylisoquinolin-3-amine
PubChem CID58082294
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name6-bromo-8-methylisoquinolin-3-amine
SMILESCc1cc(Br)cc2cc(N)ncc12
InChIInChI=1S/C10H9BrN2/c1-6-2-8(11)3-7-4-10(12)13-5-9(6)7/h2-5H,1H3,(H2,12,13)
InChIKeyQGGROPHUYHSBKF-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methylisoquinolin-3-amine?
The IUPAC name of 6-bromo-8-methylisoquinolin-3-amine (CID 58082294) is 6-bromo-8-methylisoquinolin-3-amine.
What is the SMILES notation for 6-bromo-8-methylisoquinolin-3-amine?
The canonical SMILES for 6-bromo-8-methylisoquinolin-3-amine is Cc1cc(Br)cc2cc(N)ncc12.
What is the InChIKey of 6-bromo-8-methylisoquinolin-3-amine?
The InChIKey is QGGROPHUYHSBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-6-2-8(11)3-7-4-10(12)13-5-9(6)7/h2-5H,1H3,(H2,12,13).
What are the key properties of 6-bromo-8-methylisoquinolin-3-amine?
6-bromo-8-methylisoquinolin-3-amine has a molecular weight of 237.10 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methylisoquinolin-3-amine is sourced from PubChem (CID 58082294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).