4-fluoro-6-methoxypyridine-3-thiol

C6H6FNOS — CID 142555736

IUPAC4-fluoro-6-methoxypyridine-3-thiol
SMILESCOc1cc(F)c(S)cn1
InChIInChI=1S/C6H6FNOS/c1-9-6-2-4(7)5(10)3-8-6/h2-3,10H,1H3
InChIKeyHLRUYSRFMQRSIK-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.52
Rot. Bonds1

About 4-fluoro-6-methoxypyridine-3-thiol

4-fluoro-6-methoxypyridine-3-thiol (PubChem CID 142555736) has the molecular formula C6H6FNOS and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-fluoro-6-methoxypyridine-3-thiol.

Molecular Properties

Compound Name4-fluoro-6-methoxypyridine-3-thiol
PubChem CID142555736
Molecular FormulaC6H6FNOS
Molecular Weight159.19 g/mol
Exact Mass159.02
IUPAC Name4-fluoro-6-methoxypyridine-3-thiol
SMILESCOc1cc(F)c(S)cn1
InChIInChI=1S/C6H6FNOS/c1-9-6-2-4(7)5(10)3-8-6/h2-3,10H,1H3
InChIKeyHLRUYSRFMQRSIK-UHFFFAOYSA-N
XLogP1.52
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethynyl-4-fluoro-2-methoxypyridine
CID 74890866
4-fluoro-6-methoxypyridine-3-carbaldehyde
CID 118434403
5-fluoro-2-methoxy-4-methylsulfanylpyridine
CID 147316298
5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine
CID 133088677
1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine
CID 126981891
4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine
CID 146592444
5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
CID 133089593
4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride
CID 138543462
2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 138551515
2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid
CID 130560472
4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine
CID 133090425
4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine
CID 118978136

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxypyridine-3-thiol?
The IUPAC name of 4-fluoro-6-methoxypyridine-3-thiol (CID 142555736) is 4-fluoro-6-methoxypyridine-3-thiol.
What is the SMILES notation for 4-fluoro-6-methoxypyridine-3-thiol?
The canonical SMILES for 4-fluoro-6-methoxypyridine-3-thiol is COc1cc(F)c(S)cn1.
What is the InChIKey of 4-fluoro-6-methoxypyridine-3-thiol?
The InChIKey is HLRUYSRFMQRSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNOS/c1-9-6-2-4(7)5(10)3-8-6/h2-3,10H,1H3.
What are the key properties of 4-fluoro-6-methoxypyridine-3-thiol?
4-fluoro-6-methoxypyridine-3-thiol has a molecular weight of 159.19 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxypyridine-3-thiol is sourced from PubChem (CID 142555736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).