lithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate

C17H16LiNO3 — CID 25178374

IUPAClithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate
SMILESO=C([O-])CCC(O)c1ccc(/C=C/c2ccccn2)cc1.[Li+]
InChIInChI=1S/C17H17NO3.Li/c19-16(10-11-17(20)21)14-7-4-13(5-8-14)6-9-15-3-1-2-12-18-15;/h1-9,12,16,19H,10-11H2,(H,20,21);/q;+1/p-1/b9-6+;
InChIKeyZPSKOKILCQHKBH-MLBSPLJJSA-M
MW289.26 g/mol
LogP-1.18
Rot. Bonds6

About lithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate

lithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate (PubChem CID 25178374) has the molecular formula C17H16LiNO3 and a molecular weight of 289.26 g/mol. Its IUPAC name is lithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate.

Molecular Properties

Compound Namelithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate
PubChem CID25178374
Molecular FormulaC17H16LiNO3
Molecular Weight289.26 g/mol
Exact Mass289.13
IUPAC Namelithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate
SMILESO=C([O-])CCC(O)c1ccc(/C=C/c2ccccn2)cc1.[Li+]
InChIInChI=1S/C17H17NO3.Li/c19-16(10-11-17(20)21)14-7-4-13(5-8-14)6-9-15-3-1-2-12-18-15;/h1-9,12,16,19H,10-11H2,(H,20,21);/q;+1/p-1/b9-6+;
InChIKeyZPSKOKILCQHKBH-MLBSPLJJSA-M
XLogP-1.18
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze lithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate?
The IUPAC name of lithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate (CID 25178374) is lithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate.
What is the SMILES notation for lithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate?
The canonical SMILES for lithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate is O=C([O-])CCC(O)c1ccc(/C=C/c2ccccn2)cc1.[Li+].
What is the InChIKey of lithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate?
The InChIKey is ZPSKOKILCQHKBH-MLBSPLJJSA-M. The full InChI is InChI=1S/C17H17NO3.Li/c19-16(10-11-17(20)21)14-7-4-13(5-8-14)6-9-15-3-1-2-12-18-15;/h1-9,12,16,19H,10-11H2,(H,20,21);/q;+1/p-1/b9-6+;.
What are the key properties of lithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate?
lithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate has a molecular weight of 289.26 g/mol, XLogP of -1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate is sourced from PubChem (CID 25178374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).