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

C12H13NOS — CID 79987986

IUPAC1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol
SMILESCc1ccsc1C(O)Cc1cccnc1
InChIInChI=1S/C12H13NOS/c1-9-4-6-15-12(9)11(14)7-10-3-2-5-13-8-10/h2-6,8,11,14H,7H2,1H3
InChIKeyHAJQKWSAZKMDQQ-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.73
Rot. Bonds3

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

1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol (PubChem CID 79987986) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol
PubChem CID79987986
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol
SMILESCc1ccsc1C(O)Cc1cccnc1
InChIInChI=1S/C12H13NOS/c1-9-4-6-15-12(9)11(14)7-10-3-2-5-13-8-10/h2-6,8,11,14H,7H2,1H3
InChIKeyHAJQKWSAZKMDQQ-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-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol
CID 115832109
2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 62388216
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 160892074
2-(3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 55006586
1-(2-methylphenyl)-2-pyridin-3-ylethanol
CID 62551193
1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol
CID 81154090
2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142792019
1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol
CID 107512866
(3-methylthiophen-2-yl)-pyridin-3-ylmethanamine
CID 78973972
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
1-(5-methyl-2-pyridinyl)-2-pyridin-3-ylethanol
CID 104735798
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpropan-2-ol
CID 62552066

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol?
The IUPAC name of 1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol (CID 79987986) is 1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol is Cc1ccsc1C(O)Cc1cccnc1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol?
The InChIKey is HAJQKWSAZKMDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-9-4-6-15-12(9)11(14)7-10-3-2-5-13-8-10/h2-6,8,11,14H,7H2,1H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol?
1-(3-methylthiophen-2-yl)-2-pyridin-3-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-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol is sourced from PubChem (CID 79987986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).