5-fluoro-4-phenylpyridine-3-thiol

C11H8FNS — CID 130924467

IUPAC5-fluoro-4-phenylpyridine-3-thiol
SMILESFc1cncc(S)c1-c1ccccc1
InChIInChI=1S/C11H8FNS/c12-9-6-13-7-10(14)11(9)8-4-2-1-3-5-8/h1-7,14H
InChIKeySZIXKWSJASYBKP-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.18
Rot. Bonds1

About 5-fluoro-4-phenylpyridine-3-thiol

5-fluoro-4-phenylpyridine-3-thiol (PubChem CID 130924467) has the molecular formula C11H8FNS and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-fluoro-4-phenylpyridine-3-thiol.

Molecular Properties

Compound Name5-fluoro-4-phenylpyridine-3-thiol
PubChem CID130924467
Molecular FormulaC11H8FNS
Molecular Weight205.26 g/mol
Exact Mass205.04
IUPAC Name5-fluoro-4-phenylpyridine-3-thiol
SMILESFc1cncc(S)c1-c1ccccc1
InChIInChI=1S/C11H8FNS/c12-9-6-13-7-10(14)11(9)8-4-2-1-3-5-8/h1-7,14H
InChIKeySZIXKWSJASYBKP-UHFFFAOYSA-N
XLogP3.18
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-fluoro-4-phenylpyridine
CID 130935796
3-fluoro-5-iodo-4-phenylpyridine
CID 131220912
5-fluoro-4-phenylpyridine-3-carbonitrile
CID 84668137
(5-fluoro-4-phenyl-3-pyridinyl)methanol
CID 131556455
3-fluoro-5-phenyl-4-(trifluoromethyl)pyridine
CID 133095547
3-fluoro-4-iodo-5-phenylpyridine
CID 131015376
2-(3,5-difluoro-4-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine
CID 158332776
4-phenylpyridine-3,5-dicarbonitrile
CID 66612265
1-fluoro-3-(2-fluorophenyl)-2-phenylbenzene
CID 90908920
3-phenyl-5-[10-(5-phenyl-3-pyridinyl)anthracen-9-yl]pyridine
CID 88908908
4,6-difluoro-5-phenylpyrimidine
CID 118840417
3-(3,5-difluoro-4-pyridinyl)benzonitrile
CID 142452389

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-phenylpyridine-3-thiol?
The IUPAC name of 5-fluoro-4-phenylpyridine-3-thiol (CID 130924467) is 5-fluoro-4-phenylpyridine-3-thiol.
What is the SMILES notation for 5-fluoro-4-phenylpyridine-3-thiol?
The canonical SMILES for 5-fluoro-4-phenylpyridine-3-thiol is Fc1cncc(S)c1-c1ccccc1.
What is the InChIKey of 5-fluoro-4-phenylpyridine-3-thiol?
The InChIKey is SZIXKWSJASYBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNS/c12-9-6-13-7-10(14)11(9)8-4-2-1-3-5-8/h1-7,14H.
What are the key properties of 5-fluoro-4-phenylpyridine-3-thiol?
5-fluoro-4-phenylpyridine-3-thiol has a molecular weight of 205.26 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-phenylpyridine-3-thiol is sourced from PubChem (CID 130924467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).