6-fluoro-5-phenylpyridine-3-thiol

C11H8FNS — CID 131212885

IUPAC6-fluoro-5-phenylpyridine-3-thiol
SMILESFc1ncc(S)cc1-c1ccccc1
InChIInChI=1S/C11H8FNS/c12-11-10(6-9(14)7-13-11)8-4-2-1-3-5-8/h1-7,14H
InChIKeyMZGKTXCMHUKYPC-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.18
Rot. Bonds1

About 6-fluoro-5-phenylpyridine-3-thiol

6-fluoro-5-phenylpyridine-3-thiol (PubChem CID 131212885) has the molecular formula C11H8FNS and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-fluoro-5-phenylpyridine-3-thiol.

Molecular Properties

Compound Name6-fluoro-5-phenylpyridine-3-thiol
PubChem CID131212885
Molecular FormulaC11H8FNS
Molecular Weight205.26 g/mol
Exact Mass205.04
IUPAC Name6-fluoro-5-phenylpyridine-3-thiol
SMILESFc1ncc(S)cc1-c1ccccc1
InChIInChI=1S/C11H8FNS/c12-11-10(6-9(14)7-13-11)8-4-2-1-3-5-8/h1-7,14H
InChIKeyMZGKTXCMHUKYPC-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-phenylpyridine-3-thiol?
The IUPAC name of 6-fluoro-5-phenylpyridine-3-thiol (CID 131212885) is 6-fluoro-5-phenylpyridine-3-thiol.
What is the SMILES notation for 6-fluoro-5-phenylpyridine-3-thiol?
The canonical SMILES for 6-fluoro-5-phenylpyridine-3-thiol is Fc1ncc(S)cc1-c1ccccc1.
What is the InChIKey of 6-fluoro-5-phenylpyridine-3-thiol?
The InChIKey is MZGKTXCMHUKYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNS/c12-11-10(6-9(14)7-13-11)8-4-2-1-3-5-8/h1-7,14H.
What are the key properties of 6-fluoro-5-phenylpyridine-3-thiol?
6-fluoro-5-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 6-fluoro-5-phenylpyridine-3-thiol is sourced from PubChem (CID 131212885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).