lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate

C11H13LiN2O3 — CID 118364714

IUPAClithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate
SMILESO=C([O-])c1ccc(CN2CCOCC2)nc1.[Li+]
InChIInChI=1S/C11H14N2O3.Li/c14-11(15)9-1-2-10(12-7-9)8-13-3-5-16-6-4-13;/h1-2,7H,3-6,8H2,(H,14,15);/q;+1/p-1
InChIKeyMENNRSPFVJRSHT-UHFFFAOYSA-M
MW228.18 g/mol
LogP-3.72
Rot. Bonds3

About lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate

lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate (PubChem CID 118364714) has the molecular formula C11H13LiN2O3 and a molecular weight of 228.18 g/mol. Its IUPAC name is lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namelithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate
PubChem CID118364714
Molecular FormulaC11H13LiN2O3
Molecular Weight228.18 g/mol
Exact Mass228.11
IUPAC Namelithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate
SMILESO=C([O-])c1ccc(CN2CCOCC2)nc1.[Li+]
InChIInChI=1S/C11H14N2O3.Li/c14-11(15)9-1-2-10(12-7-9)8-13-3-5-16-6-4-13;/h1-2,7H,3-6,8H2,(H,14,15);/q;+1/p-1
InChIKeyMENNRSPFVJRSHT-UHFFFAOYSA-M
XLogP-3.72
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 5-3.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate?
The IUPAC name of lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate (CID 118364714) is lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate.
What is the SMILES notation for lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate?
The canonical SMILES for lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate is O=C([O-])c1ccc(CN2CCOCC2)nc1.[Li+].
What is the InChIKey of lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate?
The InChIKey is MENNRSPFVJRSHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N2O3.Li/c14-11(15)9-1-2-10(12-7-9)8-13-3-5-16-6-4-13;/h1-2,7H,3-6,8H2,(H,14,15);/q;+1/p-1.
What are the key properties of lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate?
lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate has a molecular weight of 228.18 g/mol, XLogP of -3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate is sourced from PubChem (CID 118364714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).