3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine

C14H10ClNOS — CID 117170950

IUPAC3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine
SMILESClc1cccc2scc(COc3cccnc3)c12
InChIInChI=1S/C14H10ClNOS/c15-12-4-1-5-13-14(12)10(9-18-13)8-17-11-3-2-6-16-7-11/h1-7,9H,8H2
InChIKeyJHEJAOVAWLUYJW-UHFFFAOYSA-N
MW275.76 g/mol
LogP4.53
Rot. Bonds3

About 3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine

3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine (PubChem CID 117170950) has the molecular formula C14H10ClNOS and a molecular weight of 275.76 g/mol. Its IUPAC name is 3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine.

Molecular Properties

Compound Name3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine
PubChem CID117170950
Molecular FormulaC14H10ClNOS
Molecular Weight275.76 g/mol
Exact Mass275.02
IUPAC Name3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine
SMILESClc1cccc2scc(COc3cccnc3)c12
InChIInChI=1S/C14H10ClNOS/c15-12-4-1-5-13-14(12)10(9-18-13)8-17-11-3-2-6-16-7-11/h1-7,9H,8H2
InChIKeyJHEJAOVAWLUYJW-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-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine
CID 117178145
4-chloro-3-(ethoxymethyl)-1-benzothiophene
CID 117170982
3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine
CID 117178142
3-[(3-chlorophenoxy)methyl]-1-benzothiophen-4-ol
CID 117170911
3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol
CID 117170889
3-[2-chloro-6-(phenoxymethyl)phenyl]pyridine
CID 57297531
methyl 3-(pyridin-3-yloxymethyl)-1-benzothiophene-6-carboxylate
CID 54509660
3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine
CID 117119291
3-[(3-fluorophenoxy)methyl]-1-benzothiophen-4-amine
CID 117170908
3-[(4-fluorophenoxy)methyl]-1-benzothiophen-4-ol
CID 117170932
2-(pyridin-3-yloxymethyl)-1,3-oxazole
CID 54003976
2-chloro-5-(pyridin-3-yloxymethyl)aniline
CID 117221990

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine?
The IUPAC name of 3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine (CID 117170950) is 3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine.
What is the SMILES notation for 3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine?
The canonical SMILES for 3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine is Clc1cccc2scc(COc3cccnc3)c12.
What is the InChIKey of 3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine?
The InChIKey is JHEJAOVAWLUYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNOS/c15-12-4-1-5-13-14(12)10(9-18-13)8-17-11-3-2-6-16-7-11/h1-7,9H,8H2.
What are the key properties of 3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine?
3-[(4-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-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine is sourced from PubChem (CID 117170950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).