2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol

C14H14ClNOS — CID 112655772

IUPAC2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol
SMILESCSc1ccccc1C(O)Cc1ccncc1Cl
InChIInChI=1S/C14H14ClNOS/c1-18-14-5-3-2-4-11(14)13(17)8-10-6-7-16-9-12(10)15/h2-7,9,13,17H,8H2,1H3
InChIKeyXNERSEGETCMUKU-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.73
Rot. Bonds4

About 2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol

2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol (PubChem CID 112655772) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol
PubChem CID112655772
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol
SMILESCSc1ccccc1C(O)Cc1ccncc1Cl
InChIInChI=1S/C14H14ClNOS/c1-18-14-5-3-2-4-11(14)13(17)8-10-6-7-16-9-12(10)15/h2-7,9,13,17H,8H2,1H3
InChIKeyXNERSEGETCMUKU-UHFFFAOYSA-N
XLogP3.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 106868019
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655806
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655781
2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
CID 79234085
2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 115839731
[1-(2-chlorophenyl)-2-(3-chloro-4-pyridinyl)ethyl]hydrazine
CID 105211070
3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-ol
CID 113460152
4-(2-bromo-2-naphthalen-1-ylethyl)-3-chloropyridine
CID 115985139
2-(2-chlorophenyl)-3-(3-chloro-4-pyridinyl)propanoic acid
CID 79439912
1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655718
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439464

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol (CID 112655772) is 2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol is CSc1ccccc1C(O)Cc1ccncc1Cl.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol?
The InChIKey is XNERSEGETCMUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-18-14-5-3-2-4-11(14)13(17)8-10-6-7-16-9-12(10)15/h2-7,9,13,17H,8H2,1H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol?
2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol has a molecular weight of 279.79 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 112655772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).