6-fluoro-2H-imidazo[1,5-a]pyridine-3-thione

C7H5FN2S — CID 86677910

IUPAC6-fluoro-2H-imidazo[1,5-a]pyridine-3-thione
SMILESFc1ccc2c[nH]c(=S)n2c1
InChIInChI=1S/C7H5FN2S/c8-5-1-2-6-3-9-7(11)10(6)4-5/h1-4H,(H,9,11)
InChIKeySKRZOSWYUMOYSA-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.14
Rot. Bonds

About 6-fluoro-2H-imidazo[1,5-a]pyridine-3-thione

6-fluoro-2H-imidazo[1,5-a]pyridine-3-thione (PubChem CID 86677910) has the molecular formula C7H5FN2S and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-fluoro-2H-imidazo[1,5-a]pyridine-3-thione.

Molecular Properties

Compound Name6-fluoro-2H-imidazo[1,5-a]pyridine-3-thione
PubChem CID86677910
Molecular FormulaC7H5FN2S
Molecular Weight168.20 g/mol
Exact Mass168.02
IUPAC Name6-fluoro-2H-imidazo[1,5-a]pyridine-3-thione
SMILESFc1ccc2c[nH]c(=S)n2c1
InChIInChI=1S/C7H5FN2S/c8-5-1-2-6-3-9-7(11)10(6)4-5/h1-4H,(H,9,11)
InChIKeySKRZOSWYUMOYSA-UHFFFAOYSA-N
XLogP2.14
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2H-imidazo[1,5-a]pyridine-3-thione?
The IUPAC name of 6-fluoro-2H-imidazo[1,5-a]pyridine-3-thione (CID 86677910) is 6-fluoro-2H-imidazo[1,5-a]pyridine-3-thione.
What is the SMILES notation for 6-fluoro-2H-imidazo[1,5-a]pyridine-3-thione?
The canonical SMILES for 6-fluoro-2H-imidazo[1,5-a]pyridine-3-thione is Fc1ccc2c[nH]c(=S)n2c1.
What is the InChIKey of 6-fluoro-2H-imidazo[1,5-a]pyridine-3-thione?
The InChIKey is SKRZOSWYUMOYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2S/c8-5-1-2-6-3-9-7(11)10(6)4-5/h1-4H,(H,9,11).
What are the key properties of 6-fluoro-2H-imidazo[1,5-a]pyridine-3-thione?
6-fluoro-2H-imidazo[1,5-a]pyridine-3-thione has a molecular weight of 168.20 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2H-imidazo[1,5-a]pyridine-3-thione is sourced from PubChem (CID 86677910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).