lithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate

C5H8LiNO — CID 59100163

IUPAClithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate
SMILES[3H]N1CCCC=C1[O-].[Li+]
InChIInChI=1S/C5H9NO.Li/c7-5-3-1-2-4-6-5;/h3,6-7H,1-2,4H2;/q;+1/p-1/i/hT
InChIKeyIZRRQWQQVNEMPS-MNYXATJNSA-M
MW107.07 g/mol
LogP-3.42
Rot. Bonds

About lithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate

lithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate (PubChem CID 59100163) has the molecular formula C5H8LiNO and a molecular weight of 107.07 g/mol. Its IUPAC name is lithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate.

Molecular Properties

Compound Namelithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate
PubChem CID59100163
Molecular FormulaC5H8LiNO
Molecular Weight107.07 g/mol
Exact Mass107.08
IUPAC Namelithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate
SMILES[3H]N1CCCC=C1[O-].[Li+]
InChIInChI=1S/C5H9NO.Li/c7-5-3-1-2-4-6-5;/h3,6-7H,1-2,4H2;/q;+1/p-1/i/hT
InChIKeyIZRRQWQQVNEMPS-MNYXATJNSA-M
XLogP-3.42
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.07
LogP ≤ 5-3.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Hydroxytetrahydropyridine
CID 21364240
6-Methoxy-1,2,3,4-tetrahydropyridine
CID 55286086
Sodiocaprolactam
CID 129802220
6-(Iodomethoxy)-1,2,3,4-tetrahydropyridine
CID 138500253
Lithium 1,2,3,4-tetrahydropyridin-6-olate
CID 21364239
1-tritio-3,4-dihydro-2H-pyridin-6-ol
CID 59100164

Frequently Asked Questions

What is the IUPAC name of lithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate?
The IUPAC name of lithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate (CID 59100163) is lithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate.
What is the SMILES notation for lithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate?
The canonical SMILES for lithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate is [3H]N1CCCC=C1[O-].[Li+].
What is the InChIKey of lithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate?
The InChIKey is IZRRQWQQVNEMPS-MNYXATJNSA-M. The full InChI is InChI=1S/C5H9NO.Li/c7-5-3-1-2-4-6-5;/h3,6-7H,1-2,4H2;/q;+1/p-1/i/hT.
What are the key properties of lithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate?
lithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate has a molecular weight of 107.07 g/mol, XLogP of -3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate is sourced from PubChem (CID 59100163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).