6-fluoroquinolin-8-amine

C9H7FN2 — CID 13227992

IUPAC6-fluoroquinolin-8-amine
SMILESNc1cc(F)cc2cccnc12
InChIInChI=1S/C9H7FN2/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-5H,11H2
InChIKeyIKGWILBMHTUNJB-UHFFFAOYSA-N
MW162.17 g/mol
LogP1.96
Rot. Bonds

About 6-fluoroquinolin-8-amine

6-fluoroquinolin-8-amine (PubChem CID 13227992) has the molecular formula C9H7FN2 and a molecular weight of 162.17 g/mol. Its IUPAC name is 6-fluoroquinolin-8-amine.

Molecular Properties

Compound Name6-fluoroquinolin-8-amine
PubChem CID13227992
Molecular FormulaC9H7FN2
Molecular Weight162.17 g/mol
Exact Mass162.06
IUPAC Name6-fluoroquinolin-8-amine
SMILESNc1cc(F)cc2cccnc12
InChIInChI=1S/C9H7FN2/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-5H,11H2
InChIKeyIKGWILBMHTUNJB-UHFFFAOYSA-N
XLogP1.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Quinoline
CID 7047
1,10-Phenanthroline
CID 1318
5-Methylquinoxaline
CID 61670
Quinoxaline
CID 7045
4-Methylquinoline
CID 10285
5-Aminoisoquinoline
CID 70766
8-Nitroquinoline
CID 11830
8-Methylquinoline
CID 11910
3-Aminoquinoline
CID 11375
5-Aminoquinoline
CID 11911
3-Methylquinoline
CID 11926
1,10-Phenanthroline hydrate
CID 21226

Frequently Asked Questions

What is the IUPAC name of 6-fluoroquinolin-8-amine?
The IUPAC name of 6-fluoroquinolin-8-amine (CID 13227992) is 6-fluoroquinolin-8-amine.
What is the SMILES notation for 6-fluoroquinolin-8-amine?
The canonical SMILES for 6-fluoroquinolin-8-amine is Nc1cc(F)cc2cccnc12.
What is the InChIKey of 6-fluoroquinolin-8-amine?
The InChIKey is IKGWILBMHTUNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-5H,11H2.
What are the key properties of 6-fluoroquinolin-8-amine?
6-fluoroquinolin-8-amine has a molecular weight of 162.17 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoroquinolin-8-amine is sourced from PubChem (CID 13227992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).