6-chloro-5-fluoropyridine-3-thiol

C5H3ClFNS — CID 119019568

IUPAC6-chloro-5-fluoropyridine-3-thiol
SMILESFc1cc(S)cnc1Cl
InChIInChI=1S/C5H3ClFNS/c6-5-4(7)1-3(9)2-8-5/h1-2,9H
InChIKeyANYCLOMUNYOSKV-UHFFFAOYSA-N
MW163.60 g/mol
LogP2.16
Rot. Bonds

About 6-chloro-5-fluoropyridine-3-thiol

6-chloro-5-fluoropyridine-3-thiol (PubChem CID 119019568) has the molecular formula C5H3ClFNS and a molecular weight of 163.60 g/mol. Its IUPAC name is 6-chloro-5-fluoropyridine-3-thiol.

Molecular Properties

Compound Name6-chloro-5-fluoropyridine-3-thiol
PubChem CID119019568
Molecular FormulaC5H3ClFNS
Molecular Weight163.60 g/mol
Exact Mass162.97
IUPAC Name6-chloro-5-fluoropyridine-3-thiol
SMILESFc1cc(S)cnc1Cl
InChIInChI=1S/C5H3ClFNS/c6-5-4(7)1-3(9)2-8-5/h1-2,9H
InChIKeyANYCLOMUNYOSKV-UHFFFAOYSA-N
XLogP2.16
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 52.16
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-chloro-5-fluoropyridine-3-thiol?
The IUPAC name of 6-chloro-5-fluoropyridine-3-thiol (CID 119019568) is 6-chloro-5-fluoropyridine-3-thiol.
What is the SMILES notation for 6-chloro-5-fluoropyridine-3-thiol?
The canonical SMILES for 6-chloro-5-fluoropyridine-3-thiol is Fc1cc(S)cnc1Cl.
What is the InChIKey of 6-chloro-5-fluoropyridine-3-thiol?
The InChIKey is ANYCLOMUNYOSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClFNS/c6-5-4(7)1-3(9)2-8-5/h1-2,9H.
What are the key properties of 6-chloro-5-fluoropyridine-3-thiol?
6-chloro-5-fluoropyridine-3-thiol has a molecular weight of 163.60 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoropyridine-3-thiol is sourced from PubChem (CID 119019568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).