1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol

C13H15NOS — CID 107502914

IUPAC1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol
SMILESCc1cc(C(O)Cc2cccs2)cc(C)n1
InChIInChI=1S/C13H15NOS/c1-9-6-11(7-10(2)14-9)13(15)8-12-4-3-5-16-12/h3-7,13,15H,8H2,1-2H3
InChIKeyGECVUMFSPNBSGP-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.04
Rot. Bonds3

About 1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol

1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol (PubChem CID 107502914) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol
PubChem CID107502914
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol
SMILESCc1cc(C(O)Cc2cccs2)cc(C)n1
InChIInChI=1S/C13H15NOS/c1-9-6-11(7-10(2)14-9)13(15)8-12-4-3-5-16-12/h3-7,13,15H,8H2,1-2H3
InChIKeyGECVUMFSPNBSGP-UHFFFAOYSA-N
XLogP3.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol
CID 63155413
1-(3,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62608803
1-(3-aminophenyl)-2-thiophen-2-ylethanol
CID 106695892
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 62607449
1-(5-chlorothiophen-3-yl)-2-thiophen-2-ylethanol
CID 130767599
1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 55136258
1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol
CID 62501851
1-(4-phenylphenyl)-2-thiophen-2-ylethanol
CID 65148567
5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one
CID 82174352
4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile
CID 115481022
1-(2,6-dimethyl-4-pyridinyl)propan-1-ol
CID 107502848

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol (CID 107502914) is 1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol is Cc1cc(C(O)Cc2cccs2)cc(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol?
The InChIKey is GECVUMFSPNBSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-6-11(7-10(2)14-9)13(15)8-12-4-3-5-16-12/h3-7,13,15H,8H2,1-2H3.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol?
1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol has a molecular weight of 233.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 107502914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).