2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol

C19H20N2O2S — CID 56976087

IUPAC2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol
SMILESOc1ccc2cc(-c3ccc(OCCN4CCCC4)nc3)sc2c1
InChIInChI=1S/C19H20N2O2S/c22-16-5-3-14-11-17(24-18(14)12-16)15-4-6-19(20-13-15)23-10-9-21-7-1-2-8-21/h3-6,11-13,22H,1-2,7-10H2
InChIKeyCYGIHCIWUBHNGK-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.14
Rot. Bonds5

About 2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol

2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol (PubChem CID 56976087) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol
PubChem CID56976087
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol
SMILESOc1ccc2cc(-c3ccc(OCCN4CCCC4)nc3)sc2c1
InChIInChI=1S/C19H20N2O2S/c22-16-5-3-14-11-17(24-18(14)12-16)15-4-6-19(20-13-15)23-10-9-21-7-1-2-8-21/h3-6,11-13,22H,1-2,7-10H2
InChIKeyCYGIHCIWUBHNGK-UHFFFAOYSA-N
XLogP4.14
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-2-(2-piperidin-1-ylethoxy)pyridine
CID 126471382
tri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane
CID 57258756
2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol;hydrochloride
CID 70272731
[3-methyl-5-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]phenyl]methanol
CID 171674001
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-7-ol
CID 21182904
4-[5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)phenoxy]butanoic acid
CID 91212425
4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride
CID 135549351
5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
CID 67960770
4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
CID 54755443
6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile
CID 55137110
4-[2-[[5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 126471082
2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol
CID 57052258

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol?
The IUPAC name of 2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol (CID 56976087) is 2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol.
What is the SMILES notation for 2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol?
The canonical SMILES for 2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol is Oc1ccc2cc(-c3ccc(OCCN4CCCC4)nc3)sc2c1.
What is the InChIKey of 2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol?
The InChIKey is CYGIHCIWUBHNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-16-5-3-14-11-17(24-18(14)12-16)15-4-6-19(20-13-15)23-10-9-21-7-1-2-8-21/h3-6,11-13,22H,1-2,7-10H2.
What are the key properties of 2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol?
2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol has a molecular weight of 340.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol is sourced from PubChem (CID 56976087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).