5-bromo-4-fluoropyridine-3-thiol

C5H3BrFNS — CID 130618171

IUPAC5-bromo-4-fluoropyridine-3-thiol
SMILESFc1c(S)cncc1Br
InChIInChI=1S/C5H3BrFNS/c6-3-1-8-2-4(9)5(3)7/h1-2,9H
InChIKeyNCEGALWGZNJRPR-UHFFFAOYSA-N
MW208.06 g/mol
LogP2.27
Rot. Bonds

About 5-bromo-4-fluoropyridine-3-thiol

5-bromo-4-fluoropyridine-3-thiol (PubChem CID 130618171) has the molecular formula C5H3BrFNS and a molecular weight of 208.06 g/mol. Its IUPAC name is 5-bromo-4-fluoropyridine-3-thiol.

Molecular Properties

Compound Name5-bromo-4-fluoropyridine-3-thiol
PubChem CID130618171
Molecular FormulaC5H3BrFNS
Molecular Weight208.06 g/mol
Exact Mass206.92
IUPAC Name5-bromo-4-fluoropyridine-3-thiol
SMILESFc1c(S)cncc1Br
InChIInChI=1S/C5H3BrFNS/c6-3-1-8-2-4(9)5(3)7/h1-2,9H
InChIKeyNCEGALWGZNJRPR-UHFFFAOYSA-N
XLogP2.27
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoropyridine-3-thiol?
The IUPAC name of 5-bromo-4-fluoropyridine-3-thiol (CID 130618171) is 5-bromo-4-fluoropyridine-3-thiol.
What is the SMILES notation for 5-bromo-4-fluoropyridine-3-thiol?
The canonical SMILES for 5-bromo-4-fluoropyridine-3-thiol is Fc1c(S)cncc1Br.
What is the InChIKey of 5-bromo-4-fluoropyridine-3-thiol?
The InChIKey is NCEGALWGZNJRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrFNS/c6-3-1-8-2-4(9)5(3)7/h1-2,9H.
What are the key properties of 5-bromo-4-fluoropyridine-3-thiol?
5-bromo-4-fluoropyridine-3-thiol has a molecular weight of 208.06 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoropyridine-3-thiol is sourced from PubChem (CID 130618171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).