3-fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione

C10H8FNS — CID 142940521

IUPAC3-fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione
SMILESFc1cc2c([nH]c1=S)C=CC=CC2
InChIInChI=1S/C10H8FNS/c11-8-6-7-4-2-1-3-5-9(7)12-10(8)13/h1-3,5-6H,4H2,(H,12,13)
InChIKeyXNZYQTXXSSOXRN-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.01
Rot. Bonds

About 3-fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione

3-fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione (PubChem CID 142940521) has the molecular formula C10H8FNS and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione.

Molecular Properties

Compound Name3-fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione
PubChem CID142940521
Molecular FormulaC10H8FNS
Molecular Weight193.25 g/mol
Exact Mass193.04
IUPAC Name3-fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione
SMILESFc1cc2c([nH]c1=S)C=CC=CC2
InChIInChI=1S/C10H8FNS/c11-8-6-7-4-2-1-3-5-9(7)12-10(8)13/h1-3,5-6H,4H2,(H,12,13)
InChIKeyXNZYQTXXSSOXRN-UHFFFAOYSA-N
XLogP3.01
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione?
The IUPAC name of 3-fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione (CID 142940521) is 3-fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione.
What is the SMILES notation for 3-fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione?
The canonical SMILES for 3-fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione is Fc1cc2c([nH]c1=S)C=CC=CC2.
What is the InChIKey of 3-fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione?
The InChIKey is XNZYQTXXSSOXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNS/c11-8-6-7-4-2-1-3-5-9(7)12-10(8)13/h1-3,5-6H,4H2,(H,12,13).
What are the key properties of 3-fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione?
3-fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione has a molecular weight of 193.25 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione is sourced from PubChem (CID 142940521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).