5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol

C13H12FNOS — CID 115833942

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol
SMILESOC(c1cc2c(s1)CCC2)c1ccncc1F
InChIInChI=1S/C13H12FNOS/c14-10-7-15-5-4-9(10)13(16)12-6-8-2-1-3-11(8)17-12/h4-7,13,16H,1-3H2
InChIKeyGSLSGPHPMCVRCX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.85
Rot. Bonds2

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol (PubChem CID 115833942) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol
PubChem CID115833942
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol
SMILESOC(c1cc2c(s1)CCC2)c1ccncc1F
InChIInChI=1S/C13H12FNOS/c14-10-7-15-5-4-9(10)13(16)12-6-8-2-1-3-11(8)17-12/h4-7,13,16H,1-3H2
InChIKeyGSLSGPHPMCVRCX-UHFFFAOYSA-N
XLogP2.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol
CID 114980045
isoquinolin-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115794934
(2,5-difluorophenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 61099599
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-pyridin-3-ylethanol
CID 115832035
(2,3-difluoro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 107516165
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propan-2-ylphenyl)methanol
CID 61083152
(3-bromo-2-fluorophenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 106648361
2,3-dihydro-1H-inden-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61086856
(2,6-difluoro-3-methylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115829329
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol
CID 115817820
(3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 114978572
(4-fluoro-3-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 79747225

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol (CID 115833942) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol is OC(c1cc2c(s1)CCC2)c1ccncc1F.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol?
The InChIKey is GSLSGPHPMCVRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS/c14-10-7-15-5-4-9(10)13(16)12-6-8-2-1-3-11(8)17-12/h4-7,13,16H,1-3H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol has a molecular weight of 249.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 115833942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).