7-bromo-5-methylisoquinolin-1-amine

C10H9BrN2 — CID 130908435

IUPAC7-bromo-5-methylisoquinolin-1-amine
SMILESCc1cc(Br)cc2c(N)nccc12
InChIInChI=1S/C10H9BrN2/c1-6-4-7(11)5-9-8(6)2-3-13-10(9)12/h2-5H,1H3,(H2,12,13)
InChIKeyOIGJRPREQNRAHG-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.89
Rot. Bonds

About 7-bromo-5-methylisoquinolin-1-amine

7-bromo-5-methylisoquinolin-1-amine (PubChem CID 130908435) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 7-bromo-5-methylisoquinolin-1-amine.

Molecular Properties

Compound Name7-bromo-5-methylisoquinolin-1-amine
PubChem CID130908435
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name7-bromo-5-methylisoquinolin-1-amine
SMILESCc1cc(Br)cc2c(N)nccc12
InChIInChI=1S/C10H9BrN2/c1-6-4-7(11)5-9-8(6)2-3-13-10(9)12/h2-5H,1H3,(H2,12,13)
InChIKeyOIGJRPREQNRAHG-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 7-bromo-5-methylisoquinolin-1-amine?
The IUPAC name of 7-bromo-5-methylisoquinolin-1-amine (CID 130908435) is 7-bromo-5-methylisoquinolin-1-amine.
What is the SMILES notation for 7-bromo-5-methylisoquinolin-1-amine?
The canonical SMILES for 7-bromo-5-methylisoquinolin-1-amine is Cc1cc(Br)cc2c(N)nccc12.
What is the InChIKey of 7-bromo-5-methylisoquinolin-1-amine?
The InChIKey is OIGJRPREQNRAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-6-4-7(11)5-9-8(6)2-3-13-10(9)12/h2-5H,1H3,(H2,12,13).
What are the key properties of 7-bromo-5-methylisoquinolin-1-amine?
7-bromo-5-methylisoquinolin-1-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 7-bromo-5-methylisoquinolin-1-amine is sourced from PubChem (CID 130908435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).