3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione

C14H14FNS — CID 54501959

IUPAC3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione
SMILESFc1cccc(CCCc2ccc[nH]c2=S)c1
InChIInChI=1S/C14H14FNS/c15-13-8-2-5-11(10-13)4-1-6-12-7-3-9-16-14(12)17/h2-3,5,7-10H,1,4,6H2,(H,16,17)
InChIKeyYDAZXUPGILUONB-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.06
Rot. Bonds4

About 3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione

3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione (PubChem CID 54501959) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione
PubChem CID54501959
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione
SMILESFc1cccc(CCCc2ccc[nH]c2=S)c1
InChIInChI=1S/C14H14FNS/c15-13-8-2-5-11(10-13)4-1-6-12-7-3-9-16-14(12)17/h2-3,5,7-10H,1,4,6H2,(H,16,17)
InChIKeyYDAZXUPGILUONB-UHFFFAOYSA-N
XLogP4.06
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene
CID 173254875
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
acetylene;1-butyl-3-fluorobenzene
CID 142913636
4-(3-fluorophenyl)butanoyloxidanium
CID 160822973
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
N-[3-(3-fluorophenyl)propoxy]methanamine
CID 117126889
1-(3-cyclopentylpropyl)-3-fluorobenzene
CID 118922459
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
1,3-dipentylbenzene;fluorobenzene
CID 174957175
1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene
CID 142218123
6-(3-fluorophenyl)hexan-3-one
CID 64521140

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione?
The IUPAC name of 3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione (CID 54501959) is 3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione.
What is the SMILES notation for 3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione?
The canonical SMILES for 3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione is Fc1cccc(CCCc2ccc[nH]c2=S)c1.
What is the InChIKey of 3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione?
The InChIKey is YDAZXUPGILUONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c15-13-8-2-5-11(10-13)4-1-6-12-7-3-9-16-14(12)17/h2-3,5,7-10H,1,4,6H2,(H,16,17).
What are the key properties of 3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione?
3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione has a molecular weight of 247.34 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluorophenyl)propyl]-1H-pyridine-2-thione is sourced from PubChem (CID 54501959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).