2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine

C18H16ClNOS — CID 15754465

IUPAC2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine
SMILESCCOc1cc(-c2ccsc2)nc(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C18H16ClNOS/c1-3-21-17-10-16(14-7-8-22-11-14)20-18(12(17)2)13-5-4-6-15(19)9-13/h4-11H,3H2,1-2H3
InChIKeyTYBACVTVHWMXRM-UHFFFAOYSA-N
MW329.85 g/mol
LogP5.84
Rot. Bonds4

About 2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine

2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine (PubChem CID 15754465) has the molecular formula C18H16ClNOS and a molecular weight of 329.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine
PubChem CID15754465
Molecular FormulaC18H16ClNOS
Molecular Weight329.85 g/mol
Exact Mass329.06
IUPAC Name2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine
SMILESCCOc1cc(-c2ccsc2)nc(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C18H16ClNOS/c1-3-21-17-10-16(14-7-8-22-11-14)20-18(12(17)2)13-5-4-6-15(19)9-13/h4-11H,3H2,1-2H3
InChIKeyTYBACVTVHWMXRM-UHFFFAOYSA-N
XLogP5.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.85
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-phenylpyridine
CID 15022696
6-(3-chlorophenyl)-2-(4-chlorophenyl)-4-ethoxy-3-methylpyridine
CID 15022699
3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine
CID 15754385
5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine
CID 82106545
6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride
CID 19063762
4-(3-chlorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136692221
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 19195112
2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile
CID 132588920
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197427
[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)methanethiol
CID 87257987
ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 12603733
ethyl 3-(3-bromophenyl)-5-(3-chlorophenyl)pyrazine-2-carboxylate
CID 122223726

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine?
The IUPAC name of 2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine (CID 15754465) is 2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine?
The canonical SMILES for 2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine is CCOc1cc(-c2ccsc2)nc(-c2cccc(Cl)c2)c1C.
What is the InChIKey of 2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine?
The InChIKey is TYBACVTVHWMXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNOS/c1-3-21-17-10-16(14-7-8-22-11-14)20-18(12(17)2)13-5-4-6-15(19)9-13/h4-11H,3H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine?
2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine has a molecular weight of 329.85 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine is sourced from PubChem (CID 15754465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).