1-(3-chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol

C15H13ClF3NO2S — CID 90008176

IUPAC1-(3-chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESCSc1cncc(Cl)c1C(O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3NO2S/c1-23-13-8-20-7-11(16)14(13)12(21)6-9-2-4-10(5-3-9)22-15(17,18)19/h2-5,7-8,12,21H,6H2,1H3
InChIKeyFVPYVNDPTSXDPE-UHFFFAOYSA-N
MW363.79 g/mol
LogP4.63
Rot. Bonds5

About 1-(3-chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol

1-(3-chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 90008176) has the molecular formula C15H13ClF3NO2S and a molecular weight of 363.79 g/mol. Its IUPAC name is 1-(3-chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-(3-chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID90008176
Molecular FormulaC15H13ClF3NO2S
Molecular Weight363.79 g/mol
Exact Mass363.03
IUPAC Name1-(3-chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESCSc1cncc(Cl)c1C(O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3NO2S/c1-23-13-8-20-7-11(16)14(13)12(21)6-9-2-4-10(5-3-9)22-15(17,18)19/h2-5,7-8,12,21H,6H2,1H3
InChIKeyFVPYVNDPTSXDPE-UHFFFAOYSA-N
XLogP4.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.79
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](4-methoxyphenyl)methanol
CID 4522761
[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](4-methoxyphenyl)methanone oxime
CID 135473482
2-[4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol
CID 107709644
N-{[3-Chloro-5-(trifluoromethyl)pyridin-2-YL](4-methoxyphenyl)methylidene}hydroxylamine
CID 3751879
2-(4-Chloro-3-methoxyphenyl)-5-trifluoromethyl-3-methylthiopyridine
CID 19068756
3-Chloro-2-(4-methoxy-3-methylphenyl)sulfanyl-5-(trifluoromethyl)pyridine
CID 22450298
3,5-Dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine
CID 57389073
3-Fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine
CID 57389160
3-Chloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine
CID 57389161
3-Chloro-5-ethylsulfanyl-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine
CID 57389163
3-Chloro-2-(2-fluoro-4-methoxyphenyl)-5-methylsulfonylpyridine
CID 67667457
4-[Fluoro-[4-(trifluoromethoxy)phenyl]methyl]-3-methylsulfinylpyridine
CID 67981062

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 1-(3-chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol (CID 90008176) is 1-(3-chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1-(3-chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1-(3-chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol is CSc1cncc(Cl)c1C(O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(3-chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is FVPYVNDPTSXDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO2S/c1-23-13-8-20-7-11(16)14(13)12(21)6-9-2-4-10(5-3-9)22-15(17,18)19/h2-5,7-8,12,21H,6H2,1H3.
What are the key properties of 1-(3-chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
1-(3-chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 363.79 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 90008176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).