lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide

C14H13FLiNO3 — CID 174704336

IUPAClithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide
SMILESCC(=O)OC(c1ccc(F)cc1)c1ccccn1.[Li+].[OH-]
InChIInChI=1S/C14H12FNO2.Li.H2O/c1-10(17)18-14(13-4-2-3-9-16-13)11-5-7-12(15)8-6-11;;/h2-9,14H,1H3;;1H2/q;+1;/p-1
InChIKeyZHDMXZVTWDIAKT-UHFFFAOYSA-M
MW269.20 g/mol
LogP-0.30
Rot. Bonds3

About lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide

lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide (PubChem CID 174704336) has the molecular formula C14H13FLiNO3 and a molecular weight of 269.20 g/mol. Its IUPAC name is lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide.

Molecular Properties

Compound Namelithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide
PubChem CID174704336
Molecular FormulaC14H13FLiNO3
Molecular Weight269.20 g/mol
Exact Mass269.10
IUPAC Namelithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide
SMILESCC(=O)OC(c1ccc(F)cc1)c1ccccn1.[Li+].[OH-]
InChIInChI=1S/C14H12FNO2.Li.H2O/c1-10(17)18-14(13-4-2-3-9-16-13)11-5-7-12(15)8-6-11;;/h2-9,14H,1H3;;1H2/q;+1;/p-1
InChIKeyZHDMXZVTWDIAKT-UHFFFAOYSA-M
XLogP-0.30
TPSA69.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)ethyl acetate
CID 11286838
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
(2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate
CID 11780090
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 33431970
[(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate
CID 56528264
2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine
CID 146530371
[(4-fluorophenyl)-(2,3,3-trimethylcyclopropen-1-yl)methyl] acetate
CID 53381416
(2R)-1-(4-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396295
1-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66446030
[(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate
CID 95916441
[(3-fluorophenyl)-pyridin-2-ylmethyl] 5-methylthiophene-2-carboxylate
CID 56528272
[4-[pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]phenyl] acetate
CID 162673252

Frequently Asked Questions

What is the IUPAC name of lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide?
The IUPAC name of lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide (CID 174704336) is lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide.
What is the SMILES notation for lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide?
The canonical SMILES for lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide is CC(=O)OC(c1ccc(F)cc1)c1ccccn1.[Li+].[OH-].
What is the InChIKey of lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide?
The InChIKey is ZHDMXZVTWDIAKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12FNO2.Li.H2O/c1-10(17)18-14(13-4-2-3-9-16-13)11-5-7-12(15)8-6-11;;/h2-9,14H,1H3;;1H2/q;+1;/p-1.
What are the key properties of lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide?
lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide has a molecular weight of 269.20 g/mol, XLogP of -0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide is sourced from PubChem (CID 174704336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).