lithium 2-but-3-enyl-6-methoxy-4H-pyridin-4-ide

C10H12LiNO — CID 23691401

IUPAClithium 2-but-3-enyl-6-methoxy-4H-pyridin-4-ide
SMILESC=CCCc1c[c-]cc(OC)n1.[Li+]
InChIInChI=1S/C10H12NO.Li/c1-3-4-6-9-7-5-8-10(11-9)12-2;/h3,7-8H,1,4,6H2,2H3;/q-1;+1
InChIKeyUULFIFSAUBJCIU-UHFFFAOYSA-N
MW169.15 g/mol
LogP-0.99
Rot. Bonds4

About lithium 2-but-3-enyl-6-methoxy-4H-pyridin-4-ide

lithium 2-but-3-enyl-6-methoxy-4H-pyridin-4-ide (PubChem CID 23691401) has the molecular formula C10H12LiNO and a molecular weight of 169.15 g/mol. Its IUPAC name is lithium 2-but-3-enyl-6-methoxy-4H-pyridin-4-ide.

Molecular Properties

Compound Namelithium 2-but-3-enyl-6-methoxy-4H-pyridin-4-ide
PubChem CID23691401
Molecular FormulaC10H12LiNO
Molecular Weight169.15 g/mol
Exact Mass169.11
IUPAC Namelithium 2-but-3-enyl-6-methoxy-4H-pyridin-4-ide
SMILESC=CCCc1c[c-]cc(OC)n1.[Li+]
InChIInChI=1S/C10H12NO.Li/c1-3-4-6-9-7-5-8-10(11-9)12-2;/h3,7-8H,1,4,6H2,2H3;/q-1;+1
InChIKeyUULFIFSAUBJCIU-UHFFFAOYSA-N
XLogP-0.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 2-but-3-enyl-6-methoxy-4H-pyridin-4-ide?
The IUPAC name of lithium 2-but-3-enyl-6-methoxy-4H-pyridin-4-ide (CID 23691401) is lithium 2-but-3-enyl-6-methoxy-4H-pyridin-4-ide.
What is the SMILES notation for lithium 2-but-3-enyl-6-methoxy-4H-pyridin-4-ide?
The canonical SMILES for lithium 2-but-3-enyl-6-methoxy-4H-pyridin-4-ide is C=CCCc1c[c-]cc(OC)n1.[Li+].
What is the InChIKey of lithium 2-but-3-enyl-6-methoxy-4H-pyridin-4-ide?
The InChIKey is UULFIFSAUBJCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO.Li/c1-3-4-6-9-7-5-8-10(11-9)12-2;/h3,7-8H,1,4,6H2,2H3;/q-1;+1.
What are the key properties of lithium 2-but-3-enyl-6-methoxy-4H-pyridin-4-ide?
lithium 2-but-3-enyl-6-methoxy-4H-pyridin-4-ide has a molecular weight of 169.15 g/mol, XLogP of -0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-but-3-enyl-6-methoxy-4H-pyridin-4-ide is sourced from PubChem (CID 23691401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).