lithium 2,3,4,5-tetrahydropyridine-6-carboxylate

C6H8LiNO2 — CID 100925685

IUPAClithium 2,3,4,5-tetrahydropyridine-6-carboxylate
SMILESO=C([O-])C1=NCCCC1.[Li+]
InChIInChI=1S/C6H9NO2.Li/c8-6(9)5-3-1-2-4-7-5;/h1-4H2,(H,8,9);/q;+1/p-1
InChIKeyBFQACCSTSZJAGA-UHFFFAOYSA-M
MW133.08 g/mol
LogP-3.63
Rot. Bonds1

About lithium 2,3,4,5-tetrahydropyridine-6-carboxylate

lithium 2,3,4,5-tetrahydropyridine-6-carboxylate (PubChem CID 100925685) has the molecular formula C6H8LiNO2 and a molecular weight of 133.08 g/mol. Its IUPAC name is lithium 2,3,4,5-tetrahydropyridine-6-carboxylate.

Molecular Properties

Compound Namelithium 2,3,4,5-tetrahydropyridine-6-carboxylate
PubChem CID100925685
Molecular FormulaC6H8LiNO2
Molecular Weight133.08 g/mol
Exact Mass133.07
IUPAC Namelithium 2,3,4,5-tetrahydropyridine-6-carboxylate
SMILESO=C([O-])C1=NCCCC1.[Li+]
InChIInChI=1S/C6H9NO2.Li/c8-6(9)5-3-1-2-4-7-5;/h1-4H2,(H,8,9);/q;+1/p-1
InChIKeyBFQACCSTSZJAGA-UHFFFAOYSA-M
XLogP-3.63
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.08
LogP ≤ 5-3.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

delta1-Piperidine-2-carboxylic acid
CID 1194
1-Piperideine-2-carboxylate
CID 5460387
methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate
CID 54224798
2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid
CID 20528910
Ethyl 3,4,5,6-tetrahydropyridine-2-carboxylate
CID 45082140
Methyl 3,4,5,6-tetrahydropyridine-2-carboxylate
CID 45089945
Methyl 1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-carboxylate
CID 139806439
Methyl 2,3,4,5-tetrahydropyridine-6-carboperoxoate
CID 143932133
Sodium 2,3,4,5-tetrahydropyridine-6-carboxylate
CID 100925684

Frequently Asked Questions

What is the IUPAC name of lithium 2,3,4,5-tetrahydropyridine-6-carboxylate?
The IUPAC name of lithium 2,3,4,5-tetrahydropyridine-6-carboxylate (CID 100925685) is lithium 2,3,4,5-tetrahydropyridine-6-carboxylate.
What is the SMILES notation for lithium 2,3,4,5-tetrahydropyridine-6-carboxylate?
The canonical SMILES for lithium 2,3,4,5-tetrahydropyridine-6-carboxylate is O=C([O-])C1=NCCCC1.[Li+].
What is the InChIKey of lithium 2,3,4,5-tetrahydropyridine-6-carboxylate?
The InChIKey is BFQACCSTSZJAGA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9NO2.Li/c8-6(9)5-3-1-2-4-7-5;/h1-4H2,(H,8,9);/q;+1/p-1.
What are the key properties of lithium 2,3,4,5-tetrahydropyridine-6-carboxylate?
lithium 2,3,4,5-tetrahydropyridine-6-carboxylate has a molecular weight of 133.08 g/mol, XLogP of -3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,3,4,5-tetrahydropyridine-6-carboxylate is sourced from PubChem (CID 100925685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).