(2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol

C13H15NOS — CID 107502869

IUPAC(2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1cc(C(O)c2sccc2C)cc(C)n1
InChIInChI=1S/C13H15NOS/c1-8-4-5-16-13(8)12(15)11-6-9(2)14-10(3)7-11/h4-7,12,15H,1-3H3
InChIKeyOWQHGXMJWLOYPP-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.15
Rot. Bonds2

About (2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol

(2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol (PubChem CID 107502869) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol
PubChem CID107502869
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name(2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1cc(C(O)c2sccc2C)cc(C)n1
InChIInChI=1S/C13H15NOS/c1-8-4-5-16-13(8)12(15)11-6-9(2)14-10(3)7-11/h4-7,12,15H,1-3H3
InChIKeyOWQHGXMJWLOYPP-UHFFFAOYSA-N
XLogP3.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502982
(3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol
CID 61101702
(5-fluoro-3-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 63894490
(3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol
CID 78917699
(3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanol
CID 114988226
(3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol
CID 64985208
(3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 79747205
(4-bromo-1,3-thiazol-2-yl)-(3-methylthiophen-2-yl)methanol
CID 114684226
[4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol
CID 61099824
(3-bromo-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 54978962
(3-cyclopropylphenyl)-(3-methylthiophen-2-yl)methanol
CID 79991292
(4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 66272658

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol?
The IUPAC name of (2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol (CID 107502869) is (2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for (2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for (2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol is Cc1cc(C(O)c2sccc2C)cc(C)n1.
What is the InChIKey of (2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol?
The InChIKey is OWQHGXMJWLOYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-8-4-5-16-13(8)12(15)11-6-9(2)14-10(3)7-11/h4-7,12,15H,1-3H3.
What are the key properties of (2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol?
(2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol has a molecular weight of 233.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 107502869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).