lithium 5-methylpyrimidine-2-carboxylate

C6H5LiN2O2 — CID 167724926

IUPAClithium 5-methylpyrimidine-2-carboxylate
SMILESCc1cnc(C(=O)[O-])nc1.[Li+]
InChIInChI=1S/C6H6N2O2.Li/c1-4-2-7-5(6(9)10)8-3-4;/h2-3H,1H3,(H,9,10);/q;+1/p-1
InChIKeyREXWSNNEQFJLHT-UHFFFAOYSA-M
MW144.06 g/mol
LogP-3.85
Rot. Bonds1

About lithium 5-methylpyrimidine-2-carboxylate

lithium 5-methylpyrimidine-2-carboxylate (PubChem CID 167724926) has the molecular formula C6H5LiN2O2 and a molecular weight of 144.06 g/mol. Its IUPAC name is lithium 5-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namelithium 5-methylpyrimidine-2-carboxylate
PubChem CID167724926
Molecular FormulaC6H5LiN2O2
Molecular Weight144.06 g/mol
Exact Mass144.05
IUPAC Namelithium 5-methylpyrimidine-2-carboxylate
SMILESCc1cnc(C(=O)[O-])nc1.[Li+]
InChIInChI=1S/C6H6N2O2.Li/c1-4-2-7-5(6(9)10)8-3-4;/h2-3H,1H3,(H,9,10);/q;+1/p-1
InChIKeyREXWSNNEQFJLHT-UHFFFAOYSA-M
XLogP-3.85
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.06
LogP ≤ 5-3.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 5-methylpyrimidine-2-carboxylate?
The IUPAC name of lithium 5-methylpyrimidine-2-carboxylate (CID 167724926) is lithium 5-methylpyrimidine-2-carboxylate.
What is the SMILES notation for lithium 5-methylpyrimidine-2-carboxylate?
The canonical SMILES for lithium 5-methylpyrimidine-2-carboxylate is Cc1cnc(C(=O)[O-])nc1.[Li+].
What is the InChIKey of lithium 5-methylpyrimidine-2-carboxylate?
The InChIKey is REXWSNNEQFJLHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N2O2.Li/c1-4-2-7-5(6(9)10)8-3-4;/h2-3H,1H3,(H,9,10);/q;+1/p-1.
What are the key properties of lithium 5-methylpyrimidine-2-carboxylate?
lithium 5-methylpyrimidine-2-carboxylate has a molecular weight of 144.06 g/mol, XLogP of -3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 167724926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).