1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol

C12H13NO2S — CID 115832109

IUPAC1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol
SMILESCOc1ccsc1C(O)Cc1cccnc1
InChIInChI=1S/C12H13NO2S/c1-15-11-4-6-16-12(11)10(14)7-9-3-2-5-13-8-9/h2-6,8,10,14H,7H2,1H3
InChIKeyVYMKOVWEUFLCDS-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.43
Rot. Bonds4

About 1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol

1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol (PubChem CID 115832109) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol
PubChem CID115832109
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol
SMILESCOc1ccsc1C(O)Cc1cccnc1
InChIInChI=1S/C12H13NO2S/c1-15-11-4-6-16-12(11)10(14)7-9-3-2-5-13-8-9/h2-6,8,10,14H,7H2,1H3
InChIKeyVYMKOVWEUFLCDS-UHFFFAOYSA-N
XLogP2.43
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol
CID 79987986
2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol
CID 81129535
3-(2,2-dimethoxyethyl)pyridine
CID 118705230
1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol
CID 81154090
[2-(3-chloro-4-pyridinyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105314849
4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine
CID 81140116
3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol
CID 104736155
1-(3-methoxythiophen-2-yl)decan-1-ol
CID 115782906
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115806434
2-cyclohexyl-1-(3-methoxythiophen-2-yl)ethanol
CID 115786210
2-(3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 55006586
1-(2-methylphenyl)-2-pyridin-3-ylethanol
CID 62551193

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol?
The IUPAC name of 1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol (CID 115832109) is 1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol?
The canonical SMILES for 1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol is COc1ccsc1C(O)Cc1cccnc1.
What is the InChIKey of 1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol?
The InChIKey is VYMKOVWEUFLCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-15-11-4-6-16-12(11)10(14)7-9-3-2-5-13-8-9/h2-6,8,10,14H,7H2,1H3.
What are the key properties of 1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol?
1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol has a molecular weight of 235.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol is sourced from PubChem (CID 115832109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).