[4-[2-[2-(2-fluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol

C13H20FNO3S — CID 139756465

IUPAC[4-[2-[2-(2-fluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol
SMILESCc1c(SCCOCCOCCF)ccnc1CO
InChIInChI=1S/C13H20FNO3S/c1-11-12(10-16)15-4-2-13(11)19-9-8-18-7-6-17-5-3-14/h2,4,16H,3,5-10H2,1H3
InChIKeyTUMVNBDSMOYZGM-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.98
Rot. Bonds10

About [4-[2-[2-(2-fluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol

[4-[2-[2-(2-fluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol (PubChem CID 139756465) has the molecular formula C13H20FNO3S and a molecular weight of 289.37 g/mol. Its IUPAC name is [4-[2-[2-(2-fluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[2-[2-(2-fluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol
PubChem CID139756465
Molecular FormulaC13H20FNO3S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC Name[4-[2-[2-(2-fluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol
SMILESCc1c(SCCOCCOCCF)ccnc1CO
InChIInChI=1S/C13H20FNO3S/c1-11-12(10-16)15-4-2-13(11)19-9-8-18-7-6-17-5-3-14/h2,4,16H,3,5-10H2,1H3
InChIKeyTUMVNBDSMOYZGM-UHFFFAOYSA-N
XLogP1.98
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-Methyl-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]pyridin-2-yl]methanol
CID 18404146
2,3-Dimethyl-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]pyridine
CID 54015749
[3-Methyl-4-[4-(2,2,2-trifluoroethoxy)butylsulfanyl]pyridin-2-yl]methanol
CID 85754267
1-(3-Benzylsulfanyl-2-pyridinyl)-2-fluoropropan-1-ol
CID 118321425
[3-Ethylsulfanyl-5-(trifluoromethyl)pyridin-2-yl]methanol
CID 118324907
[2-(1-Hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite
CID 129170368
2,3-Dimethyl-1-oxido-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]pyridin-1-ium
CID 139756423
[4-[2-[2-(2,2,2-Trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol
CID 139756427
[3-Fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol
CID 139756434
[3-Ethyl-4-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethylsulfanyl]-2-pyridinyl]methanol
CID 139756438
[4-[2-[2-(2,2-Difluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol
CID 139756450
[3-Methyl-4-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethylsulfanyl]-2-pyridinyl]methanol
CID 139756452

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-(2-fluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol?
The IUPAC name of [4-[2-[2-(2-fluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol (CID 139756465) is [4-[2-[2-(2-fluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [4-[2-[2-(2-fluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol?
The canonical SMILES for [4-[2-[2-(2-fluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol is Cc1c(SCCOCCOCCF)ccnc1CO.
What is the InChIKey of [4-[2-[2-(2-fluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol?
The InChIKey is TUMVNBDSMOYZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3S/c1-11-12(10-16)15-4-2-13(11)19-9-8-18-7-6-17-5-3-14/h2,4,16H,3,5-10H2,1H3.
What are the key properties of [4-[2-[2-(2-fluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol?
[4-[2-[2-(2-fluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol has a molecular weight of 289.37 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-(2-fluoroethoxy)ethoxy]ethylsulfanyl]-3-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 139756465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).