(3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methanol

C9H13NOS — CID 16736348

IUPAC(3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methanol
SMILESCSc1c(C)cnc(CO)c1C
InChIInChI=1S/C9H13NOS/c1-6-4-10-8(5-11)7(2)9(6)12-3/h4,11H,5H2,1-3H3
InChIKeyBVEWKDALBAASBP-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.91
Rot. Bonds2

About (3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methanol

(3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methanol (PubChem CID 16736348) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is (3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methanol
PubChem CID16736348
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name(3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methanol
SMILESCSc1c(C)cnc(CO)c1C
InChIInChI=1S/C9H13NOS/c1-6-4-10-8(5-11)7(2)9(6)12-3/h4,11H,5H2,1-3H3
InChIKeyBVEWKDALBAASBP-UHFFFAOYSA-N
XLogP1.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dimethylamino)-3,5-dimethyl-2-pyridinyl]methanol
CID 70471685
6-(hydroxymethyl)-5-methylpyridin-3-ol;rhodium
CID 58047449
[3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol
CID 130081112
(2,5-dimethylpyrimidin-4-yl)methanol
CID 58143239
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
9-[(3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methyl]-6-iodopurin-2-amine
CID 143429725
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79163828
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol
CID 10658970
(4,5-dimethyl-2-pyridinyl)methanol
CID 14296060
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]propane-1,2-diol
CID 79682772
(3,5-dimethylpyrazin-2-yl)methanol
CID 71467096
methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate
CID 127263097

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methanol?
The IUPAC name of (3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methanol (CID 16736348) is (3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methanol.
What is the SMILES notation for (3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methanol?
The canonical SMILES for (3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methanol is CSc1c(C)cnc(CO)c1C.
What is the InChIKey of (3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methanol?
The InChIKey is BVEWKDALBAASBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-6-4-10-8(5-11)7(2)9(6)12-3/h4,11H,5H2,1-3H3.
What are the key properties of (3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methanol?
(3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methanol has a molecular weight of 183.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methanol is sourced from PubChem (CID 16736348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).