(6,8-dibromoisoquinolin-1-yl)methanamine

C10H8Br2N2 — CID 125426485

IUPAC(6,8-dibromoisoquinolin-1-yl)methanamine
SMILESNCc1nccc2cc(Br)cc(Br)c12
InChIInChI=1S/C10H8Br2N2/c11-7-3-6-1-2-14-9(5-13)10(6)8(12)4-7/h1-4H,5,13H2
InChIKeyJYSIVJCMEPQMJK-UHFFFAOYSA-N
MW316.00 g/mol
LogP3.22
Rot. Bonds1

About (6,8-dibromoisoquinolin-1-yl)methanamine

(6,8-dibromoisoquinolin-1-yl)methanamine (PubChem CID 125426485) has the molecular formula C10H8Br2N2 and a molecular weight of 316.00 g/mol. Its IUPAC name is (6,8-dibromoisoquinolin-1-yl)methanamine.

Molecular Properties

Compound Name(6,8-dibromoisoquinolin-1-yl)methanamine
PubChem CID125426485
Molecular FormulaC10H8Br2N2
Molecular Weight316.00 g/mol
Exact Mass313.91
IUPAC Name(6,8-dibromoisoquinolin-1-yl)methanamine
SMILESNCc1nccc2cc(Br)cc(Br)c12
InChIInChI=1S/C10H8Br2N2/c11-7-3-6-1-2-14-9(5-13)10(6)8(12)4-7/h1-4H,5,13H2
InChIKeyJYSIVJCMEPQMJK-UHFFFAOYSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.00
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6,8-dibromoisoquinolin-1-yl)methanamine?
The IUPAC name of (6,8-dibromoisoquinolin-1-yl)methanamine (CID 125426485) is (6,8-dibromoisoquinolin-1-yl)methanamine.
What is the SMILES notation for (6,8-dibromoisoquinolin-1-yl)methanamine?
The canonical SMILES for (6,8-dibromoisoquinolin-1-yl)methanamine is NCc1nccc2cc(Br)cc(Br)c12.
What is the InChIKey of (6,8-dibromoisoquinolin-1-yl)methanamine?
The InChIKey is JYSIVJCMEPQMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2/c11-7-3-6-1-2-14-9(5-13)10(6)8(12)4-7/h1-4H,5,13H2.
What are the key properties of (6,8-dibromoisoquinolin-1-yl)methanamine?
(6,8-dibromoisoquinolin-1-yl)methanamine has a molecular weight of 316.00 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dibromoisoquinolin-1-yl)methanamine is sourced from PubChem (CID 125426485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).