lithium;acetic acid;5-fluoro-6-methylpyridin-3-olate

C8H9FLiNO3 — CID 175366857

IUPAClithium;acetic acid;5-fluoro-6-methylpyridin-3-olate
SMILESCC(=O)O.Cc1ncc([O-])cc1F.[Li+]
InChIInChI=1S/C6H6FNO.C2H4O2.Li/c1-4-6(7)2-5(9)3-8-4;1-2(3)4;/h2-3,9H,1H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyRZCPRCQESLXMRF-UHFFFAOYSA-M
MW193.10 g/mol
LogP-2.30
Rot. Bonds

About lithium;acetic acid;5-fluoro-6-methylpyridin-3-olate

lithium;acetic acid;5-fluoro-6-methylpyridin-3-olate (PubChem CID 175366857) has the molecular formula C8H9FLiNO3 and a molecular weight of 193.10 g/mol. Its IUPAC name is lithium;acetic acid;5-fluoro-6-methylpyridin-3-olate.

Molecular Properties

Compound Namelithium;acetic acid;5-fluoro-6-methylpyridin-3-olate
PubChem CID175366857
Molecular FormulaC8H9FLiNO3
Molecular Weight193.10 g/mol
Exact Mass193.07
IUPAC Namelithium;acetic acid;5-fluoro-6-methylpyridin-3-olate
SMILESCC(=O)O.Cc1ncc([O-])cc1F.[Li+]
InChIInChI=1S/C6H6FNO.C2H4O2.Li/c1-4-6(7)2-5(9)3-8-4;1-2(3)4;/h2-3,9H,1H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyRZCPRCQESLXMRF-UHFFFAOYSA-M
XLogP-2.30
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.10
LogP ≤ 5-2.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;3-fluoro-2-methylpyridine
CID 175599570
acetic acid;2,3,5-trimethylpyrazine
CID 159251290
acetic acid;1,3,5-trifluorobenzene
CID 162178148
(NE)-N-[(5-fluoro-6-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 134588478
1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone
CID 144835745
3-fluoro-5-(iodomethyl)-2-methylpyridine
CID 171544442
(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid
CID 129188798
ethane;2-ethylpyridine-4-carboxylic acid;5-fluoro-6-methylpyridine-3-carboxylic acid
CID 145419435
5-cyclopentyl-3-fluoro-2-methylpyridine;ethane
CID 170761559
[difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane
CID 170234409
(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
CID 168987947
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 118812572

Frequently Asked Questions

What is the IUPAC name of lithium;acetic acid;5-fluoro-6-methylpyridin-3-olate?
The IUPAC name of lithium;acetic acid;5-fluoro-6-methylpyridin-3-olate (CID 175366857) is lithium;acetic acid;5-fluoro-6-methylpyridin-3-olate.
What is the SMILES notation for lithium;acetic acid;5-fluoro-6-methylpyridin-3-olate?
The canonical SMILES for lithium;acetic acid;5-fluoro-6-methylpyridin-3-olate is CC(=O)O.Cc1ncc([O-])cc1F.[Li+].
What is the InChIKey of lithium;acetic acid;5-fluoro-6-methylpyridin-3-olate?
The InChIKey is RZCPRCQESLXMRF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6FNO.C2H4O2.Li/c1-4-6(7)2-5(9)3-8-4;1-2(3)4;/h2-3,9H,1H3;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of lithium;acetic acid;5-fluoro-6-methylpyridin-3-olate?
lithium;acetic acid;5-fluoro-6-methylpyridin-3-olate has a molecular weight of 193.10 g/mol, XLogP of -2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;acetic acid;5-fluoro-6-methylpyridin-3-olate is sourced from PubChem (CID 175366857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).