2-(2-fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine

C16H14FNO2S — CID 46947350

IUPAC2-(2-fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine
SMILESCOc1ccc2cc(-c3ccc(OCCF)nc3)sc2c1
InChIInChI=1S/C16H14FNO2S/c1-19-13-4-2-11-8-14(21-15(11)9-13)12-3-5-16(18-10-12)20-7-6-17/h2-5,8-10H,6-7H2,1H3
InChIKeyPDWFZKGMLCEZCO-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.32
Rot. Bonds5

About 2-(2-fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine

2-(2-fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine (PubChem CID 46947350) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine
PubChem CID46947350
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC Name2-(2-fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine
SMILESCOc1ccc2cc(-c3ccc(OCCF)nc3)sc2c1
InChIInChI=1S/C16H14FNO2S/c1-19-13-4-2-11-8-14(21-15(11)9-13)12-3-5-16(18-10-12)20-7-6-17/h2-5,8-10H,6-7H2,1H3
InChIKeyPDWFZKGMLCEZCO-UHFFFAOYSA-N
XLogP4.32
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-6-ol
CID 1634
(-)-(R)-2-(3-(1-(2-methoxypyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11695811
rac-2-(3-(1-(6-methoxypyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884154
2-[2-[5-Methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]ethynyl]pyridine
CID 44142497
2-Methoxy-5-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]pyridine
CID 44202207
3-(6-Methoxy-3-pentyl-benzo[b]thiophen-2-yl)-N-(1-methyl-4-pyridin-3-yl-butyl)-acrylamide
CID 44329214
7-(1-benzothiophen-3-yl)-9-methyl-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 122180288
6-methoxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137660689
2-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-3-[6-(2-pyrrolidin-1-yl-ethoxy)-pyridin-3-ylmethyl]-benzo[b]thiophen-6-ol
CID 11757135
6-(Pyridin-3-ylmethoxy)-benzo[b]thiophene-2-carboxamidine
CID 46233366
N-(3-methyl-1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide
CID 66907691
2-Methoxy-5-[5-methoxy-2-(2-methoxyphenyl)-1-benzothiophen-3-yl]pyridine
CID 44142401

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine?
The IUPAC name of 2-(2-fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine (CID 46947350) is 2-(2-fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine.
What is the SMILES notation for 2-(2-fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine?
The canonical SMILES for 2-(2-fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine is COc1ccc2cc(-c3ccc(OCCF)nc3)sc2c1.
What is the InChIKey of 2-(2-fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine?
The InChIKey is PDWFZKGMLCEZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-19-13-4-2-11-8-14(21-15(11)9-13)12-3-5-16(18-10-12)20-7-6-17/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 2-(2-fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine?
2-(2-fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine has a molecular weight of 303.36 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine is sourced from PubChem (CID 46947350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).