lithium 5-carbamoylpyridine-2-carboxylate

C7H5LiN2O3 — CID 157023289

IUPAClithium 5-carbamoylpyridine-2-carboxylate
SMILESNC(=O)c1ccc(C(=O)[O-])nc1.[Li+]
InChIInChI=1S/C7H6N2O3.Li/c8-6(10)4-1-2-5(7(11)12)9-3-4;/h1-3H,(H2,8,10)(H,11,12);/q;+1/p-1
InChIKeyBHVHIIWXMYRMDE-UHFFFAOYSA-M
MW172.07 g/mol
LogP-4.45
Rot. Bonds2

About lithium 5-carbamoylpyridine-2-carboxylate

lithium 5-carbamoylpyridine-2-carboxylate (PubChem CID 157023289) has the molecular formula C7H5LiN2O3 and a molecular weight of 172.07 g/mol. Its IUPAC name is lithium 5-carbamoylpyridine-2-carboxylate.

Molecular Properties

Compound Namelithium 5-carbamoylpyridine-2-carboxylate
PubChem CID157023289
Molecular FormulaC7H5LiN2O3
Molecular Weight172.07 g/mol
Exact Mass172.05
IUPAC Namelithium 5-carbamoylpyridine-2-carboxylate
SMILESNC(=O)c1ccc(C(=O)[O-])nc1.[Li+]
InChIInChI=1S/C7H6N2O3.Li/c8-6(10)4-1-2-5(7(11)12)9-3-4;/h1-3H,(H2,8,10)(H,11,12);/q;+1/p-1
InChIKeyBHVHIIWXMYRMDE-UHFFFAOYSA-M
XLogP-4.45
TPSA96.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.07
LogP ≤ 5-4.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-prop-1-en-2-ylpyridine-3-carboxamide
CID 123173194
2-N,2-N-diphenylpyridine-2,5-dicarboxamide
CID 169087629
6-methylsulfinylpyridine-3-carboxamide
CID 119092995
6-chloropyridine-3-carboxamide;dihydrochloride
CID 87764201
sodium 5-methylpyridine-2-carboxylate
CID 23707755
6-tert-butylpyridine-3-carboxamide;ethane
CID 144695705
lithium 5-ethylpyridine-2-carboxylate
CID 58074033
2-N-(2-amino-2-methylpropyl)pyridine-2,5-dicarboxamide;hydrochloride
CID 119627358
6-propan-2-ylpyridine-3-carboxamide
CID 821161
2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide
CID 119431033
copper;bis(copper(1+));bis(pyridine-2,5-dicarboxylate);tetrakis(N-pyridin-2-ylpyridin-2-amine)
CID 139198746
2-N-cycloheptyl-2-N-methylpyridine-2,5-dicarboxamide
CID 51098301

Frequently Asked Questions

What is the IUPAC name of lithium 5-carbamoylpyridine-2-carboxylate?
The IUPAC name of lithium 5-carbamoylpyridine-2-carboxylate (CID 157023289) is lithium 5-carbamoylpyridine-2-carboxylate.
What is the SMILES notation for lithium 5-carbamoylpyridine-2-carboxylate?
The canonical SMILES for lithium 5-carbamoylpyridine-2-carboxylate is NC(=O)c1ccc(C(=O)[O-])nc1.[Li+].
What is the InChIKey of lithium 5-carbamoylpyridine-2-carboxylate?
The InChIKey is BHVHIIWXMYRMDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6N2O3.Li/c8-6(10)4-1-2-5(7(11)12)9-3-4;/h1-3H,(H2,8,10)(H,11,12);/q;+1/p-1.
What are the key properties of lithium 5-carbamoylpyridine-2-carboxylate?
lithium 5-carbamoylpyridine-2-carboxylate has a molecular weight of 172.07 g/mol, XLogP of -4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-carbamoylpyridine-2-carboxylate is sourced from PubChem (CID 157023289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).