(6-fluoroisoquinolin-8-yl)methanamine

C10H9FN2 — CID 125449937

IUPAC(6-fluoroisoquinolin-8-yl)methanamine
SMILESNCc1cc(F)cc2ccncc12
InChIInChI=1S/C10H9FN2/c11-9-3-7-1-2-13-6-10(7)8(4-9)5-12/h1-4,6H,5,12H2
InChIKeyJIDKFIKFDAAZJP-UHFFFAOYSA-N
MW176.19 g/mol
LogP1.83
Rot. Bonds1

About (6-fluoroisoquinolin-8-yl)methanamine

(6-fluoroisoquinolin-8-yl)methanamine (PubChem CID 125449937) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is (6-fluoroisoquinolin-8-yl)methanamine.

Molecular Properties

Compound Name(6-fluoroisoquinolin-8-yl)methanamine
PubChem CID125449937
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name(6-fluoroisoquinolin-8-yl)methanamine
SMILESNCc1cc(F)cc2ccncc12
InChIInChI=1S/C10H9FN2/c11-9-3-7-1-2-13-6-10(7)8(4-9)5-12/h1-4,6H,5,12H2
InChIKeyJIDKFIKFDAAZJP-UHFFFAOYSA-N
XLogP1.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-fluoroisoquinolin-8-yl)methanamine?
The IUPAC name of (6-fluoroisoquinolin-8-yl)methanamine (CID 125449937) is (6-fluoroisoquinolin-8-yl)methanamine.
What is the SMILES notation for (6-fluoroisoquinolin-8-yl)methanamine?
The canonical SMILES for (6-fluoroisoquinolin-8-yl)methanamine is NCc1cc(F)cc2ccncc12.
What is the InChIKey of (6-fluoroisoquinolin-8-yl)methanamine?
The InChIKey is JIDKFIKFDAAZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c11-9-3-7-1-2-13-6-10(7)8(4-9)5-12/h1-4,6H,5,12H2.
What are the key properties of (6-fluoroisoquinolin-8-yl)methanamine?
(6-fluoroisoquinolin-8-yl)methanamine has a molecular weight of 176.19 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoroisoquinolin-8-yl)methanamine is sourced from PubChem (CID 125449937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).