5-fluorocinnolin-4-amine

C8H6FN3 — CID 169496265

IUPAC5-fluorocinnolin-4-amine
SMILESNc1cnnc2cccc(F)c12
InChIInChI=1S/C8H6FN3/c9-5-2-1-3-7-8(5)6(10)4-11-12-7/h1-4H,(H2,10,12)
InChIKeyJQRDVLRZSIAFBJ-UHFFFAOYSA-N
MW163.16 g/mol
LogP1.35
Rot. Bonds

About 5-fluorocinnolin-4-amine

5-fluorocinnolin-4-amine (PubChem CID 169496265) has the molecular formula C8H6FN3 and a molecular weight of 163.16 g/mol. Its IUPAC name is 5-fluorocinnolin-4-amine.

Molecular Properties

Compound Name5-fluorocinnolin-4-amine
PubChem CID169496265
Molecular FormulaC8H6FN3
Molecular Weight163.16 g/mol
Exact Mass163.05
IUPAC Name5-fluorocinnolin-4-amine
SMILESNc1cnnc2cccc(F)c12
InChIInChI=1S/C8H6FN3/c9-5-2-1-3-7-8(5)6(10)4-11-12-7/h1-4H,(H2,10,12)
InChIKeyJQRDVLRZSIAFBJ-UHFFFAOYSA-N
XLogP1.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluorocinnolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluorocinnolin-4-amine?
The IUPAC name of 5-fluorocinnolin-4-amine (CID 169496265) is 5-fluorocinnolin-4-amine.
What is the SMILES notation for 5-fluorocinnolin-4-amine?
The canonical SMILES for 5-fluorocinnolin-4-amine is Nc1cnnc2cccc(F)c12.
What is the InChIKey of 5-fluorocinnolin-4-amine?
The InChIKey is JQRDVLRZSIAFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3/c9-5-2-1-3-7-8(5)6(10)4-11-12-7/h1-4H,(H2,10,12).
What are the key properties of 5-fluorocinnolin-4-amine?
5-fluorocinnolin-4-amine has a molecular weight of 163.16 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorocinnolin-4-amine is sourced from PubChem (CID 169496265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).