lithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol

C11H12F3LiNO3- — CID 171556931

IUPAClithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol
SMILES[CH2-][C@H](O)[C@H](O)[C@H]([CH2-])Oc1cccc(C(F)(F)F)n1.[Li+]
InChIInChI=1S/C11H12F3NO3.Li/c1-6(16)10(17)7(2)18-9-5-3-4-8(15-9)11(12,13)14;/h3-7,10,16-17H,1-2H2;/q-2;+1/t6-,7-,10-;/m0./s1
InChIKeyACLAGCPEAJCNIP-SXEDSFTMSA-N
MW270.16 g/mol
LogP-1.76
Rot. Bonds4

About lithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol

lithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol (PubChem CID 171556931) has the molecular formula C11H12F3LiNO3- and a molecular weight of 270.16 g/mol. Its IUPAC name is lithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol.

Molecular Properties

Compound Namelithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol
PubChem CID171556931
Molecular FormulaC11H12F3LiNO3-
Molecular Weight270.16 g/mol
Exact Mass270.09
IUPAC Namelithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol
SMILES[CH2-][C@H](O)[C@H](O)[C@H]([CH2-])Oc1cccc(C(F)(F)F)n1.[Li+]
InChIInChI=1S/C11H12F3NO3.Li/c1-6(16)10(17)7(2)18-9-5-3-4-8(15-9)11(12,13)14;/h3-7,10,16-17H,1-2H2;/q-2;+1/t6-,7-,10-;/m0./s1
InChIKeyACLAGCPEAJCNIP-SXEDSFTMSA-N
XLogP-1.76
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyridine, 2-ethoxy-6-methyl-
CID 4738465
[6-(2,2,2-Trifluoroethoxy)pyridin-2-yl]methanamine
CID 62290450
2-(6-Methoxypyridin-2-yl)ethan-1-ol
CID 15319871
2-(Prop-2-yn-1-yloxy)-6-(trifluoromethyl)pyridine
CID 53903078
1-(6-Methoxypyridin-2-yl)ethanol
CID 68951207
[6-(Difluoromethoxy)pyridin-2-yl]methanol
CID 69083466
(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyridin-2-yl)methanol
CID 104564147
3-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol
CID 172433299
4-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 172433323
2-(2-Phenoxyethoxy)-6-(trifluoromethyl)pyridine
CID 172434774
3-(6-Methoxypyridin-2-yl)propan-1-ol
CID 579667
6-(2,2-Difluoroethoxy)pyridine-2-carbonitrile
CID 71757473

Frequently Asked Questions

What is the IUPAC name of lithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol?
The IUPAC name of lithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol (CID 171556931) is lithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol.
What is the SMILES notation for lithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol?
The canonical SMILES for lithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol is [CH2-][C@H](O)[C@H](O)[C@H]([CH2-])Oc1cccc(C(F)(F)F)n1.[Li+].
What is the InChIKey of lithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol?
The InChIKey is ACLAGCPEAJCNIP-SXEDSFTMSA-N. The full InChI is InChI=1S/C11H12F3NO3.Li/c1-6(16)10(17)7(2)18-9-5-3-4-8(15-9)11(12,13)14;/h3-7,10,16-17H,1-2H2;/q-2;+1/t6-,7-,10-;/m0./s1.
What are the key properties of lithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol?
lithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol has a molecular weight of 270.16 g/mol, XLogP of -1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol is sourced from PubChem (CID 171556931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).