6-fluoro-3-methylisoquinolin-1-amine

C10H9FN2 — CID 115014668

IUPAC6-fluoro-3-methylisoquinolin-1-amine
SMILESCc1cc2cc(F)ccc2c(N)n1
InChIInChI=1S/C10H9FN2/c1-6-4-7-5-8(11)2-3-9(7)10(12)13-6/h2-5H,1H3,(H2,12,13)
InChIKeyWOIWJRXQCKZMBA-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.26
Rot. Bonds

About 6-fluoro-3-methylisoquinolin-1-amine

6-fluoro-3-methylisoquinolin-1-amine (PubChem CID 115014668) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 6-fluoro-3-methylisoquinolin-1-amine.

Molecular Properties

Compound Name6-fluoro-3-methylisoquinolin-1-amine
PubChem CID115014668
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name6-fluoro-3-methylisoquinolin-1-amine
SMILESCc1cc2cc(F)ccc2c(N)n1
InChIInChI=1S/C10H9FN2/c1-6-4-7-5-8(11)2-3-9(7)10(12)13-6/h2-5H,1H3,(H2,12,13)
InChIKeyWOIWJRXQCKZMBA-UHFFFAOYSA-N
XLogP2.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methylisoquinolin-1-amine?
The IUPAC name of 6-fluoro-3-methylisoquinolin-1-amine (CID 115014668) is 6-fluoro-3-methylisoquinolin-1-amine.
What is the SMILES notation for 6-fluoro-3-methylisoquinolin-1-amine?
The canonical SMILES for 6-fluoro-3-methylisoquinolin-1-amine is Cc1cc2cc(F)ccc2c(N)n1.
What is the InChIKey of 6-fluoro-3-methylisoquinolin-1-amine?
The InChIKey is WOIWJRXQCKZMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-6-4-7-5-8(11)2-3-9(7)10(12)13-6/h2-5H,1H3,(H2,12,13).
What are the key properties of 6-fluoro-3-methylisoquinolin-1-amine?
6-fluoro-3-methylisoquinolin-1-amine has a molecular weight of 176.19 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methylisoquinolin-1-amine is sourced from PubChem (CID 115014668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).