5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine

C13H12FNS — CID 176569311

IUPAC5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine
SMILESFc1cccc2c(C3=CCCNC3)csc12
InChIInChI=1S/C13H12FNS/c14-12-5-1-4-10-11(8-16-13(10)12)9-3-2-6-15-7-9/h1,3-5,8,15H,2,6-7H2
InChIKeySXNCCOMRKHUJQL-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.42
Rot. Bonds1

About 5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine

5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 176569311) has the molecular formula C13H12FNS and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine
PubChem CID176569311
Molecular FormulaC13H12FNS
Molecular Weight233.31 g/mol
Exact Mass233.07
IUPAC Name5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine
SMILESFc1cccc2c(C3=CCCNC3)csc12
InChIInChI=1S/C13H12FNS/c14-12-5-1-4-10-11(8-16-13(10)12)9-3-2-6-15-7-9/h1,3-5,8,15H,2,6-7H2
InChIKeySXNCCOMRKHUJQL-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine
CID 130506757
5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine
CID 130506647
3-fluoro-4-(1,2,3,6-tetrahydropyridin-5-yl)pyridine
CID 130506741
4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole
CID 168941468
3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile
CID 176569727
3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-benzothiazole
CID 168995047
7-fluoro-1-benzothiophene-3-carbaldehyde
CID 82374224
(7-fluoro-1-benzothiophen-3-yl)methanamine
CID 83398009
2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline
CID 167902971
2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane
CID 90061889
oxalic acid;bis(4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole)
CID 3068362
(7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride
CID 155973410

Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine (CID 176569311) is 5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine is Fc1cccc2c(C3=CCCNC3)csc12.
What is the InChIKey of 5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is SXNCCOMRKHUJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNS/c14-12-5-1-4-10-11(8-16-13(10)12)9-3-2-6-15-7-9/h1,3-5,8,15H,2,6-7H2.
What are the key properties of 5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine?
5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 233.31 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 176569311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).