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

C12H13NO2S — CID 105066346

IUPAC(3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol
SMILESCOc1cnccc1C(O)c1ccc(C)s1
InChIInChI=1S/C12H13NO2S/c1-8-3-4-11(16-8)12(14)9-5-6-13-7-10(9)15-2/h3-7,12,14H,1-2H3
InChIKeyRLKJLLJKTUTBJB-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.54
Rot. Bonds3

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

(3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol (PubChem CID 105066346) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is (3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol
PubChem CID105066346
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name(3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol
SMILESCOc1cnccc1C(O)c1ccc(C)s1
InChIInChI=1S/C12H13NO2S/c1-8-3-4-11(16-8)12(14)9-5-6-13-7-10(9)15-2/h3-7,12,14H,1-2H3
InChIKeyRLKJLLJKTUTBJB-UHFFFAOYSA-N
XLogP2.54
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-3-pyridinyl)-(5-methylthiophen-2-yl)methanol
CID 66273090
(5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 61099992
(4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066253
(3,5-dimethoxyphenyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066374
(3-methoxy-2-pyridinyl)-(3-methoxy-4-pyridinyl)methanol
CID 114054869
(S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
CID 40535084
(3-methoxy-4-pyridinyl)-(2-methylquinolin-6-yl)methanol
CID 105066395
(3-methoxy-4-pyridinyl)-quinolin-5-ylmethanol
CID 105066393
isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
CID 103139118
(5-fluoro-3-pyridinyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066191
[2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol
CID 61101714
(4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
CID 105066457

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol?
The IUPAC name of (3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol (CID 105066346) is (3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol.
What is the SMILES notation for (3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol?
The canonical SMILES for (3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol is COc1cnccc1C(O)c1ccc(C)s1.
What is the InChIKey of (3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol?
The InChIKey is RLKJLLJKTUTBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-8-3-4-11(16-8)12(14)9-5-6-13-7-10(9)15-2/h3-7,12,14H,1-2H3.
What are the key properties of (3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol?
(3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol has a molecular weight of 235.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol is sourced from PubChem (CID 105066346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).