2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol

C14H15NO2S — CID 99642357

IUPAC2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol
SMILESCc1ccc(C)c(C[S@@](=O)c2ncccc2O)c1
InChIInChI=1S/C14H15NO2S/c1-10-5-6-11(2)12(8-10)9-18(17)14-13(16)4-3-7-15-14/h3-8,16H,9H2,1-2H3/t18-/m1/s1
InChIKeyZENVPOCCRCANCS-GOSISDBHSA-N
MW261.35 g/mol
LogP2.71
Rot. Bonds3

About 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol

2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol (PubChem CID 99642357) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol
PubChem CID99642357
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol
SMILESCc1ccc(C)c(C[S@@](=O)c2ncccc2O)c1
InChIInChI=1S/C14H15NO2S/c1-10-5-6-11(2)12(8-10)9-18(17)14-13(16)4-3-7-15-14/h3-8,16H,9H2,1-2H3/t18-/m1/s1
InChIKeyZENVPOCCRCANCS-GOSISDBHSA-N
XLogP2.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)methanesulfinate
CID 57256835
3-[(2,5-dimethylphenyl)methylsulfinyl]-4-methylaniline
CID 81190175
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2-[(S)-(2,5-dimethylphenyl)methylsulfinyl]acetic acid
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2-[(2,5-dimethylphenyl)methylsulfinyl]acetic acid
CID 61481698
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
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N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793358
4-methyl-2-[(2-methyl-3-pyridinyl)methyl]phenol
CID 143626685
2-[(2,5-dimethylphenyl)methylsulfinyl]-5-fluoroaniline
CID 81184350
2-[(2,5-dimethylphenyl)methylsulfinyl]butanoic acid
CID 105355615
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine
CID 501245
1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one
CID 115590410

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol?
The IUPAC name of 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol (CID 99642357) is 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol.
What is the SMILES notation for 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol?
The canonical SMILES for 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol is Cc1ccc(C)c(C[S@@](=O)c2ncccc2O)c1.
What is the InChIKey of 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol?
The InChIKey is ZENVPOCCRCANCS-GOSISDBHSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10-5-6-11(2)12(8-10)9-18(17)14-13(16)4-3-7-15-14/h3-8,16H,9H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol?
2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol has a molecular weight of 261.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]pyridin-3-ol is sourced from PubChem (CID 99642357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).