lithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol

C7H7F3LiNOS — CID 171038538

IUPAClithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol
SMILESCOc1nccc(C(F)(F)F)c1S.[H-].[Li+]
InChIInChI=1S/C7H6F3NOS.Li.H/c1-12-6-5(13)4(2-3-11-6)7(8,9)10;;/h2-3,13H,1H3;;/q;+1;-1
InChIKeyAGNVDJPIUDGPDP-UHFFFAOYSA-N
MW217.14 g/mol
LogP-0.49
Rot. Bonds1

About lithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol

lithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol (PubChem CID 171038538) has the molecular formula C7H7F3LiNOS and a molecular weight of 217.14 g/mol. Its IUPAC name is lithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol.

Molecular Properties

Compound Namelithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol
PubChem CID171038538
Molecular FormulaC7H7F3LiNOS
Molecular Weight217.14 g/mol
Exact Mass217.04
IUPAC Namelithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol
SMILESCOc1nccc(C(F)(F)F)c1S.[H-].[Li+]
InChIInChI=1S/C7H6F3NOS.Li.H/c1-12-6-5(13)4(2-3-11-6)7(8,9)10;;/h2-3,13H,1H3;;/q;+1;-1
InChIKeyAGNVDJPIUDGPDP-UHFFFAOYSA-N
XLogP-0.49
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3,4-bis(trifluoromethyl)pyridine
CID 133095141
2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid
CID 70211705
2-methoxy-3-(trifluoromethyl)pyridin-4-amine
CID 118806319
2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118704417
2-iodo-3-methoxy-4-(trifluoromethyl)pyridine
CID 118704406
2-methoxy-6-(trifluoromethyl)benzenethiol
CID 18417566
2-methoxy-3-(trifluoromethylsulfonyl)pyridine
CID 67361134
2-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 68904963
2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134636496
(2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098109
(2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709642
2-methoxy-6-methyl-3-(trifluoromethyl)pyridine
CID 70661653

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol?
The IUPAC name of lithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol (CID 171038538) is lithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol.
What is the SMILES notation for lithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol?
The canonical SMILES for lithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol is COc1nccc(C(F)(F)F)c1S.[H-].[Li+].
What is the InChIKey of lithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol?
The InChIKey is AGNVDJPIUDGPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS.Li.H/c1-12-6-5(13)4(2-3-11-6)7(8,9)10;;/h2-3,13H,1H3;;/q;+1;-1.
What are the key properties of lithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol?
lithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol has a molecular weight of 217.14 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol is sourced from PubChem (CID 171038538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).