(2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol

C12H13NOS — CID 106756231

IUPAC(2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2csc(C)c2)ccn1
InChIInChI=1S/C12H13NOS/c1-8-5-10(3-4-13-8)12(14)11-6-9(2)15-7-11/h3-7,12,14H,1-2H3
InChIKeyXQHMQRQGOCZCCB-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.84
Rot. Bonds2

About (2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol

(2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol (PubChem CID 106756231) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is (2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol
PubChem CID106756231
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name(2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2csc(C)c2)ccn1
InChIInChI=1S/C12H13NOS/c1-8-5-10(3-4-13-8)12(14)11-6-9(2)15-7-11/h3-7,12,14H,1-2H3
InChIKeyXQHMQRQGOCZCCB-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

(2-methyl-4-pyridinyl)-(6-methyl-3-pyridinyl)methanol
CID 106756194
(3,5-dimethylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756094
(S)-(2-methyl-4-pyridinyl)-phenylmethanol
CID 122230271
(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65100079
(3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099789
(3-methylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756084
1-(2-methyl-4-pyridinyl)ethanol
CID 106756390
(3-fluorophenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756088
(3-fluorophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099498
(4-fluoro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099619
(3-chlorophenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756107
(4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 115807784

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol?
The IUPAC name of (2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol (CID 106756231) is (2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol.
What is the SMILES notation for (2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol?
The canonical SMILES for (2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol is Cc1cc(C(O)c2csc(C)c2)ccn1.
What is the InChIKey of (2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol?
The InChIKey is XQHMQRQGOCZCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-5-10(3-4-13-8)12(14)11-6-9(2)15-7-11/h3-7,12,14H,1-2H3.
What are the key properties of (2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol?
(2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol 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-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol is sourced from PubChem (CID 106756231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).