3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine

C22H16ClNOS — CID 91231900

IUPAC3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine
SMILESClc1ccc(OCc2ccccc2)c(-c2ccsc2-c2cccnc2)c1
InChIInChI=1S/C22H16ClNOS/c23-18-8-9-21(25-15-16-5-2-1-3-6-16)20(13-18)19-10-12-26-22(19)17-7-4-11-24-14-17/h1-14H,15H2
InChIKeySOVPBVBYYWJBRF-UHFFFAOYSA-N
MW377.90 g/mol
LogP6.71
Rot. Bonds5

About 3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine

3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine (PubChem CID 91231900) has the molecular formula C22H16ClNOS and a molecular weight of 377.90 g/mol. Its IUPAC name is 3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine.

Molecular Properties

Compound Name3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine
PubChem CID91231900
Molecular FormulaC22H16ClNOS
Molecular Weight377.90 g/mol
Exact Mass377.06
IUPAC Name3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine
SMILESClc1ccc(OCc2ccccc2)c(-c2ccsc2-c2cccnc2)c1
InChIInChI=1S/C22H16ClNOS/c23-18-8-9-21(25-15-16-5-2-1-3-6-16)20(13-18)19-10-12-26-22(19)17-7-4-11-24-14-17/h1-14H,15H2
InChIKeySOVPBVBYYWJBRF-UHFFFAOYSA-N
XLogP6.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.90
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine-3-carboxylate
CID 18718074
N-[4-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-N-(pyridin-3-ylmethyl)formamide
CID 22620216
sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
CID 23684407
5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 6461856
3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine
CID 70926048
4-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-N-methyl-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride
CID 162305831
1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol
CID 10166349
2-(2-bromophenyl)-4-chloro-1-phenylmethoxybenzene
CID 69309413
4-methyl-3-phenylmethoxy-5-pyridin-3-ylpyridine
CID 175581548
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
lithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide
CID 159837916
2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole
CID 99839545

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine?
The IUPAC name of 3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine (CID 91231900) is 3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine.
What is the SMILES notation for 3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine?
The canonical SMILES for 3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine is Clc1ccc(OCc2ccccc2)c(-c2ccsc2-c2cccnc2)c1.
What is the InChIKey of 3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine?
The InChIKey is SOVPBVBYYWJBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNOS/c23-18-8-9-21(25-15-16-5-2-1-3-6-16)20(13-18)19-10-12-26-22(19)17-7-4-11-24-14-17/h1-14H,15H2.
What are the key properties of 3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine?
3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine has a molecular weight of 377.90 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine is sourced from PubChem (CID 91231900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).