3-(1-benzothiophen-2-yl)-5-[(3-chlorophenoxy)methyl]pyridine

C20H14ClNOS — CID 42851655

IUPAC3-(1-benzothiophen-2-yl)-5-[(3-chlorophenoxy)methyl]pyridine
SMILESClc1cccc(OCc2cncc(-c3cc4ccccc4s3)c2)c1
InChIInChI=1S/C20H14ClNOS/c21-17-5-3-6-18(10-17)23-13-14-8-16(12-22-11-14)20-9-15-4-1-2-7-19(15)24-20/h1-12H,13H2
InChIKeyXFIPDLDIIMADMC-UHFFFAOYSA-N
MW351.86 g/mol
LogP6.20
Rot. Bonds4

About 3-(1-benzothiophen-2-yl)-5-[(3-chlorophenoxy)methyl]pyridine

3-(1-benzothiophen-2-yl)-5-[(3-chlorophenoxy)methyl]pyridine (PubChem CID 42851655) has the molecular formula C20H14ClNOS and a molecular weight of 351.86 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-5-[(3-chlorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-5-[(3-chlorophenoxy)methyl]pyridine
PubChem CID42851655
Molecular FormulaC20H14ClNOS
Molecular Weight351.86 g/mol
Exact Mass351.05
IUPAC Name3-(1-benzothiophen-2-yl)-5-[(3-chlorophenoxy)methyl]pyridine
SMILESClc1cccc(OCc2cncc(-c3cc4ccccc4s3)c2)c1
InChIInChI=1S/C20H14ClNOS/c21-17-5-3-6-18(10-17)23-13-14-8-16(12-22-11-14)20-9-15-4-1-2-7-19(15)24-20/h1-12H,13H2
InChIKeyXFIPDLDIIMADMC-UHFFFAOYSA-N
XLogP6.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.86
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzothiophen-2-yl)-5-[(2-chlorophenoxy)methyl]pyridine
CID 42851650
3-(1-benzothiophen-2-yl)-5-[(2-fluorophenoxy)methyl]pyridine
CID 46044333
3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine
CID 46044387
5-(1-benzothiophen-2-yl)-N-[(4-chlorophenyl)methyl]pyrimidin-2-amine
CID 3385981
2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine
CID 57244323
CID 59413459
CID 59413459
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
4-[3-[(3-chlorophenoxy)methyl]phenyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19573800
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine
CID 117217070
3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine
CID 46044362
[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82134233

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-5-[(3-chlorophenoxy)methyl]pyridine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-5-[(3-chlorophenoxy)methyl]pyridine (CID 42851655) is 3-(1-benzothiophen-2-yl)-5-[(3-chlorophenoxy)methyl]pyridine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-5-[(3-chlorophenoxy)methyl]pyridine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-5-[(3-chlorophenoxy)methyl]pyridine is Clc1cccc(OCc2cncc(-c3cc4ccccc4s3)c2)c1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-5-[(3-chlorophenoxy)methyl]pyridine?
The InChIKey is XFIPDLDIIMADMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNOS/c21-17-5-3-6-18(10-17)23-13-14-8-16(12-22-11-14)20-9-15-4-1-2-7-19(15)24-20/h1-12H,13H2.
What are the key properties of 3-(1-benzothiophen-2-yl)-5-[(3-chlorophenoxy)methyl]pyridine?
3-(1-benzothiophen-2-yl)-5-[(3-chlorophenoxy)methyl]pyridine has a molecular weight of 351.86 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-5-[(3-chlorophenoxy)methyl]pyridine is sourced from PubChem (CID 42851655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).