3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine

C14H10ClNOS — CID 117178145

IUPAC3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine
SMILESClc1ccc2c(COc3cccnc3)csc2c1
InChIInChI=1S/C14H10ClNOS/c15-11-3-4-13-10(9-18-14(13)6-11)8-17-12-2-1-5-16-7-12/h1-7,9H,8H2
InChIKeyZXPALKWBNZVBHN-UHFFFAOYSA-N
MW275.76 g/mol
LogP4.53
Rot. Bonds3

About 3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine

3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine (PubChem CID 117178145) has the molecular formula C14H10ClNOS and a molecular weight of 275.76 g/mol. Its IUPAC name is 3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine.

Molecular Properties

Compound Name3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine
PubChem CID117178145
Molecular FormulaC14H10ClNOS
Molecular Weight275.76 g/mol
Exact Mass275.02
IUPAC Name3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine
SMILESClc1ccc2c(COc3cccnc3)csc2c1
InChIInChI=1S/C14H10ClNOS/c15-11-3-4-13-10(9-18-14(13)6-11)8-17-12-2-1-5-16-7-12/h1-7,9H,8H2
InChIKeyZXPALKWBNZVBHN-UHFFFAOYSA-N
XLogP4.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine
CID 117178142
methyl 3-(pyridin-3-yloxymethyl)-1-benzothiophene-6-carboxylate
CID 54509660
3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine
CID 117170950
5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole
CID 117175188
3-[(5-chloro-1-benzofuran-2-yl)methoxy]pyridine
CID 117175979
3-(phenoxymethyl)-1-benzothiophene-6-carboxylic acid
CID 117178205
3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine
CID 90713874
3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol
CID 117174755
6-chloro-3-(methylsulfanylmethyl)-1-benzothiophene
CID 117178170
3-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-1-benzothiophene
CID 63739324
[2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine
CID 63743324
3-[(4-chlorophenoxy)methyl]-5-methyl-1-benzothiophene
CID 117185073

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine?
The IUPAC name of 3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine (CID 117178145) is 3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine.
What is the SMILES notation for 3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine?
The canonical SMILES for 3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine is Clc1ccc2c(COc3cccnc3)csc2c1.
What is the InChIKey of 3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine?
The InChIKey is ZXPALKWBNZVBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNOS/c15-11-3-4-13-10(9-18-14(13)6-11)8-17-12-2-1-5-16-7-12/h1-7,9H,8H2.
What are the key properties of 3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine?
3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine has a molecular weight of 275.76 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine is sourced from PubChem (CID 117178145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).