1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol

C12H13NOS — CID 63155413

IUPAC1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol
SMILESCc1ccc(C(O)Cc2cccs2)cn1
InChIInChI=1S/C12H13NOS/c1-9-4-5-10(8-13-9)12(14)7-11-3-2-6-15-11/h2-6,8,12,14H,7H2,1H3
InChIKeyFWVDOQSMZVHUMM-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.73
Rot. Bonds3

About 1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol

1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol (PubChem CID 63155413) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol
PubChem CID63155413
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol
SMILESCc1ccc(C(O)Cc2cccs2)cn1
InChIInChI=1S/C12H13NOS/c1-9-4-5-10(8-13-9)12(14)7-11-3-2-6-15-11/h2-6,8,12,14H,7H2,1H3
InChIKeyFWVDOQSMZVHUMM-UHFFFAOYSA-N
XLogP2.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol
CID 107502914
N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63155524
2-(furan-2-yl)-1-(6-methyl-3-pyridinyl)ethanol
CID 104823068
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 62607449
1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol
CID 62501851
1-(4-phenylphenyl)-2-thiophen-2-ylethanol
CID 65148567
2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104822436
4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile
CID 115481022
1-(5-chlorothiophen-3-yl)-2-thiophen-2-ylethanol
CID 130767599
1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 55136258
1-(3,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62608803

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol (CID 63155413) is 1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol is Cc1ccc(C(O)Cc2cccs2)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol?
The InChIKey is FWVDOQSMZVHUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-9-4-5-10(8-13-9)12(14)7-11-3-2-6-15-11/h2-6,8,12,14H,7H2,1H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol?
1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol has a molecular weight of 219.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 63155413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).