(2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol

C12H13NOS — CID 105102734

IUPAC(2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol
SMILESCc1ccc(C(O)c2ccsc2)c(C)n1
InChIInChI=1S/C12H13NOS/c1-8-3-4-11(9(2)13-8)12(14)10-5-6-15-7-10/h3-7,12,14H,1-2H3
InChIKeyOQDGBSBIQJGWJT-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.84
Rot. Bonds2

About (2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol

(2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol (PubChem CID 105102734) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol
PubChem CID105102734
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name(2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol
SMILESCc1ccc(C(O)c2ccsc2)c(C)n1
InChIInChI=1S/C12H13NOS/c1-8-3-4-11(9(2)13-8)12(14)10-5-6-15-7-10/h3-7,12,14H,1-2H3
InChIKeyOQDGBSBIQJGWJT-UHFFFAOYSA-N
XLogP2.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2,6-dimethyl-3-pyridinyl)methanol
CID 141423650
(2,6-dimethyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol
CID 115604819
(6-methyl-3-pyridinyl)-thiophen-3-ylmethanol
CID 63155454
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol
CID 105102712
(2-methylthiophen-3-yl)-thiophen-3-ylmethanol
CID 102829147
(S)-(2-propan-2-ylphenyl)-thiophen-3-ylmethanol
CID 97293180
[2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol
CID 61087925
2-[hydroxy(thiophen-3-yl)methyl]phenol
CID 155686195
(2,4-dimethylphenyl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 115604805
(5-bromo-2-methylphenyl)-thiophen-3-ylmethanol
CID 115805475
(4-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 105131446
(R)-(2-methoxyphenyl)-thiophen-3-ylmethanol
CID 93312294

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol (CID 105102734) is (2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol is Cc1ccc(C(O)c2ccsc2)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol?
The InChIKey is OQDGBSBIQJGWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-3-4-11(9(2)13-8)12(14)10-5-6-15-7-10/h3-7,12,14H,1-2H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol?
(2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol has a molecular weight of 219.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol is sourced from PubChem (CID 105102734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).