(6-bromo-5-fluoroisoquinolin-1-yl)methanamine

C10H8BrFN2 — CID 125426567

IUPAC(6-bromo-5-fluoroisoquinolin-1-yl)methanamine
SMILESNCc1nccc2c(F)c(Br)ccc12
InChIInChI=1S/C10H8BrFN2/c11-8-2-1-6-7(10(8)12)3-4-14-9(6)5-13/h1-4H,5,13H2
InChIKeyROFHYEHNNFFDOD-UHFFFAOYSA-N
MW255.09 g/mol
LogP2.60
Rot. Bonds1

About (6-bromo-5-fluoroisoquinolin-1-yl)methanamine

(6-bromo-5-fluoroisoquinolin-1-yl)methanamine (PubChem CID 125426567) has the molecular formula C10H8BrFN2 and a molecular weight of 255.09 g/mol. Its IUPAC name is (6-bromo-5-fluoroisoquinolin-1-yl)methanamine.

Molecular Properties

Compound Name(6-bromo-5-fluoroisoquinolin-1-yl)methanamine
PubChem CID125426567
Molecular FormulaC10H8BrFN2
Molecular Weight255.09 g/mol
Exact Mass253.99
IUPAC Name(6-bromo-5-fluoroisoquinolin-1-yl)methanamine
SMILESNCc1nccc2c(F)c(Br)ccc12
InChIInChI=1S/C10H8BrFN2/c11-8-2-1-6-7(10(8)12)3-4-14-9(6)5-13/h1-4H,5,13H2
InChIKeyROFHYEHNNFFDOD-UHFFFAOYSA-N
XLogP2.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.09
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-5-fluoroisoquinolin-1-yl)methanamine?
The IUPAC name of (6-bromo-5-fluoroisoquinolin-1-yl)methanamine (CID 125426567) is (6-bromo-5-fluoroisoquinolin-1-yl)methanamine.
What is the SMILES notation for (6-bromo-5-fluoroisoquinolin-1-yl)methanamine?
The canonical SMILES for (6-bromo-5-fluoroisoquinolin-1-yl)methanamine is NCc1nccc2c(F)c(Br)ccc12.
What is the InChIKey of (6-bromo-5-fluoroisoquinolin-1-yl)methanamine?
The InChIKey is ROFHYEHNNFFDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2/c11-8-2-1-6-7(10(8)12)3-4-14-9(6)5-13/h1-4H,5,13H2.
What are the key properties of (6-bromo-5-fluoroisoquinolin-1-yl)methanamine?
(6-bromo-5-fluoroisoquinolin-1-yl)methanamine has a molecular weight of 255.09 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-5-fluoroisoquinolin-1-yl)methanamine is sourced from PubChem (CID 125426567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).