5-bromo-6-fluoro-1H-pyridine-2-thione

C5H3BrFNS — CID 131168004

IUPAC5-bromo-6-fluoro-1H-pyridine-2-thione
SMILESFc1[nH]c(=S)ccc1Br
InChIInChI=1S/C5H3BrFNS/c6-3-1-2-4(9)8-5(3)7/h1-2H,(H,8,9)
InChIKeyNFDBIGVQCVKRTC-UHFFFAOYSA-N
MW208.06 g/mol
LogP2.65
Rot. Bonds

About 5-bromo-6-fluoro-1H-pyridine-2-thione

5-bromo-6-fluoro-1H-pyridine-2-thione (PubChem CID 131168004) has the molecular formula C5H3BrFNS and a molecular weight of 208.06 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-bromo-6-fluoro-1H-pyridine-2-thione
PubChem CID131168004
Molecular FormulaC5H3BrFNS
Molecular Weight208.06 g/mol
Exact Mass206.92
IUPAC Name5-bromo-6-fluoro-1H-pyridine-2-thione
SMILESFc1[nH]c(=S)ccc1Br
InChIInChI=1S/C5H3BrFNS/c6-3-1-2-4(9)8-5(3)7/h1-2H,(H,8,9)
InChIKeyNFDBIGVQCVKRTC-UHFFFAOYSA-N
XLogP2.65
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1H-pyridine-2-thione?
The IUPAC name of 5-bromo-6-fluoro-1H-pyridine-2-thione (CID 131168004) is 5-bromo-6-fluoro-1H-pyridine-2-thione.
What is the SMILES notation for 5-bromo-6-fluoro-1H-pyridine-2-thione?
The canonical SMILES for 5-bromo-6-fluoro-1H-pyridine-2-thione is Fc1[nH]c(=S)ccc1Br.
What is the InChIKey of 5-bromo-6-fluoro-1H-pyridine-2-thione?
The InChIKey is NFDBIGVQCVKRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrFNS/c6-3-1-2-4(9)8-5(3)7/h1-2H,(H,8,9).
What are the key properties of 5-bromo-6-fluoro-1H-pyridine-2-thione?
5-bromo-6-fluoro-1H-pyridine-2-thione has a molecular weight of 208.06 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1H-pyridine-2-thione is sourced from PubChem (CID 131168004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).