pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol

C14H15NOS — CID 105079451

IUPACpyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
SMILESOC(c1cccnc1)C1CCCc2sccc21
InChIInChI=1S/C14H15NOS/c16-14(10-3-2-7-15-9-10)12-4-1-5-13-11(12)6-8-17-13/h2-3,6-9,12,14,16H,1,4-5H2
InChIKeyPCKZEIBQQRDMGJ-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.30
Rot. Bonds2

About pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol

pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol (PubChem CID 105079451) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Namepyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
PubChem CID105079451
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Namepyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
SMILESOC(c1cccnc1)C1CCCc2sccc21
InChIInChI=1S/C14H15NOS/c16-14(10-3-2-7-15-9-10)12-4-1-5-13-11(12)6-8-17-13/h2-3,6-9,12,14,16H,1,4-5H2
InChIKeyPCKZEIBQQRDMGJ-UHFFFAOYSA-N
XLogP3.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]ethanamine
CID 105098691
(4-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105110803
4,5,6,7-tetrahydro-1-benzothiophen-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710138
N-[(1R)-1-pyridin-3-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81405087
4,5,6,7-tetrahydro-1-benzothiophen-4-yl-[4-(trifluoromethyl)phenyl]methanol
CID 105093679
(4-ethoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105092056
2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105092328
(5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105119690
(2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105078447
N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842143
2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
CID 105090371
3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105130614

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The IUPAC name of pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol (CID 105079451) is pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The canonical SMILES for pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol is OC(c1cccnc1)C1CCCc2sccc21.
What is the InChIKey of pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The InChIKey is PCKZEIBQQRDMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c16-14(10-3-2-7-15-9-10)12-4-1-5-13-11(12)6-8-17-13/h2-3,6-9,12,14,16H,1,4-5H2.
What are the key properties of pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol has a molecular weight of 245.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 105079451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).