lithium 3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate

C9H11LiN2O2 — CID 146049561

IUPAClithium 3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1c(C(=O)[O-])nc2n1CCCC2.[Li+]
InChIInChI=1S/C9H12N2O2.Li/c1-6-8(9(12)13)10-7-4-2-3-5-11(6)7;/h2-5H2,1H3,(H,12,13);/q;+1/p-1
InChIKeyIKXYPJBKIGHGMY-UHFFFAOYSA-M
MW186.14 g/mol
LogP-3.10
Rot. Bonds1

About lithium 3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate

lithium 3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 146049561) has the molecular formula C9H11LiN2O2 and a molecular weight of 186.14 g/mol. Its IUPAC name is lithium 3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namelithium 3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID146049561
Molecular FormulaC9H11LiN2O2
Molecular Weight186.14 g/mol
Exact Mass186.10
IUPAC Namelithium 3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1c(C(=O)[O-])nc2n1CCCC2.[Li+]
InChIInChI=1S/C9H12N2O2.Li/c1-6-8(9(12)13)10-7-4-2-3-5-11(6)7;/h2-5H2,1H3,(H,12,13);/q;+1/p-1
InChIKeyIKXYPJBKIGHGMY-UHFFFAOYSA-M
XLogP-3.10
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 5-3.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of lithium 3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate (CID 146049561) is lithium 3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for lithium 3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for lithium 3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate is Cc1c(C(=O)[O-])nc2n1CCCC2.[Li+].
What is the InChIKey of lithium 3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is IKXYPJBKIGHGMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12N2O2.Li/c1-6-8(9(12)13)10-7-4-2-3-5-11(6)7;/h2-5H2,1H3,(H,12,13);/q;+1/p-1.
What are the key properties of lithium 3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
lithium 3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 186.14 g/mol, XLogP of -3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 146049561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).