(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methanol

C13H14N2O2S — CID 10084065

IUPAC(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methanol
SMILESCOc1cc(-c2ccccn2)nc(CO)c1SC
InChIInChI=1S/C13H14N2O2S/c1-17-12-7-10(9-5-3-4-6-14-9)15-11(8-16)13(12)18-2/h3-7,16H,8H2,1-2H3
InChIKeyMKEKAXKNTUEPCM-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.37
Rot. Bonds4

About (4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methanol

(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methanol (PubChem CID 10084065) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is (4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methanol
PubChem CID10084065
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methanol
SMILESCOc1cc(-c2ccccn2)nc(CO)c1SC
InChIInChI=1S/C13H14N2O2S/c1-17-12-7-10(9-5-3-4-6-14-9)15-11(8-16)13(12)18-2/h3-7,16H,8H2,1-2H3
InChIKeyMKEKAXKNTUEPCM-UHFFFAOYSA-N
XLogP2.37
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methanol?
The IUPAC name of (4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methanol (CID 10084065) is (4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methanol.
What is the SMILES notation for (4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methanol?
The canonical SMILES for (4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methanol is COc1cc(-c2ccccn2)nc(CO)c1SC.
What is the InChIKey of (4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methanol?
The InChIKey is MKEKAXKNTUEPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-17-12-7-10(9-5-3-4-6-14-9)15-11(8-16)13(12)18-2/h3-7,16H,8H2,1-2H3.
What are the key properties of (4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methanol?
(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methanol has a molecular weight of 262.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methanol is sourced from PubChem (CID 10084065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).