2-bromo-5-fluoropyridine-3-thiol

C5H3BrFNS — CID 119001198

IUPAC2-bromo-5-fluoropyridine-3-thiol
SMILESFc1cnc(Br)c(S)c1
InChIInChI=1S/C5H3BrFNS/c6-5-4(9)1-3(7)2-8-5/h1-2,9H
InChIKeyTYDHUUMWTLRBCP-UHFFFAOYSA-N
MW208.06 g/mol
LogP2.27
Rot. Bonds

About 2-bromo-5-fluoropyridine-3-thiol

2-bromo-5-fluoropyridine-3-thiol (PubChem CID 119001198) has the molecular formula C5H3BrFNS and a molecular weight of 208.06 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine-3-thiol.

Molecular Properties

Compound Name2-bromo-5-fluoropyridine-3-thiol
PubChem CID119001198
Molecular FormulaC5H3BrFNS
Molecular Weight208.06 g/mol
Exact Mass206.92
IUPAC Name2-bromo-5-fluoropyridine-3-thiol
SMILESFc1cnc(Br)c(S)c1
InChIInChI=1S/C5H3BrFNS/c6-5-4(9)1-3(7)2-8-5/h1-2,9H
InChIKeyTYDHUUMWTLRBCP-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromopyridine-3-thiol
CID 119017434
1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine
CID 133059607
3-azido-2-bromo-5-fluoropyridine
CID 150973100
2-bromo-5-(difluoromethyl)-3-fluoropyridine
CID 119021158
7-bromo-3,6-difluoroquinoline
CID 162381108
2-bromo-5-fluoro-3-phenylmethoxypyridine
CID 151293566
4-N-(2-bromo-5-fluoro-3-pyridinyl)-1-N-methylcyclohexane-1,4-diamine
CID 145414448
3-(difluoromethyl)-2,5-difluoropyridine
CID 70480194
3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine
CID 155463702
4-bromo-5-(difluoromethyl)-2-fluoropyridine
CID 118839444
5-fluoro-2,3-bis(trifluoromethyl)pyridine
CID 133094693
(1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine
CID 122237447

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoropyridine-3-thiol?
The IUPAC name of 2-bromo-5-fluoropyridine-3-thiol (CID 119001198) is 2-bromo-5-fluoropyridine-3-thiol.
What is the SMILES notation for 2-bromo-5-fluoropyridine-3-thiol?
The canonical SMILES for 2-bromo-5-fluoropyridine-3-thiol is Fc1cnc(Br)c(S)c1.
What is the InChIKey of 2-bromo-5-fluoropyridine-3-thiol?
The InChIKey is TYDHUUMWTLRBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrFNS/c6-5-4(9)1-3(7)2-8-5/h1-2,9H.
What are the key properties of 2-bromo-5-fluoropyridine-3-thiol?
2-bromo-5-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 2-bromo-5-fluoropyridine-3-thiol is sourced from PubChem (CID 119001198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).