lithium 3-chloro-6-methylpyridine-2-carboxylate

C7H5ClLiNO2 — CID 66749896

IUPAClithium 3-chloro-6-methylpyridine-2-carboxylate
SMILESCc1ccc(Cl)c(C(=O)[O-])n1.[Li+]
InChIInChI=1S/C7H6ClNO2.Li/c1-4-2-3-5(8)6(9-4)7(10)11;/h2-3H,1H3,(H,10,11);/q;+1/p-1
InChIKeySBQFCKKMESWEKO-UHFFFAOYSA-M
MW177.52 g/mol
LogP-2.59
Rot. Bonds1

About lithium 3-chloro-6-methylpyridine-2-carboxylate

lithium 3-chloro-6-methylpyridine-2-carboxylate (PubChem CID 66749896) has the molecular formula C7H5ClLiNO2 and a molecular weight of 177.52 g/mol. Its IUPAC name is lithium 3-chloro-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namelithium 3-chloro-6-methylpyridine-2-carboxylate
PubChem CID66749896
Molecular FormulaC7H5ClLiNO2
Molecular Weight177.52 g/mol
Exact Mass177.02
IUPAC Namelithium 3-chloro-6-methylpyridine-2-carboxylate
SMILESCc1ccc(Cl)c(C(=O)[O-])n1.[Li+]
InChIInChI=1S/C7H6ClNO2.Li/c1-4-2-3-5(8)6(9-4)7(10)11;/h2-3H,1H3,(H,10,11);/q;+1/p-1
InChIKeySBQFCKKMESWEKO-UHFFFAOYSA-M
XLogP-2.59
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.52
LogP ≤ 5-2.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium 3-chloro-6-methylpyridine-2-carboxylate?
The IUPAC name of lithium 3-chloro-6-methylpyridine-2-carboxylate (CID 66749896) is lithium 3-chloro-6-methylpyridine-2-carboxylate.
What is the SMILES notation for lithium 3-chloro-6-methylpyridine-2-carboxylate?
The canonical SMILES for lithium 3-chloro-6-methylpyridine-2-carboxylate is Cc1ccc(Cl)c(C(=O)[O-])n1.[Li+].
What is the InChIKey of lithium 3-chloro-6-methylpyridine-2-carboxylate?
The InChIKey is SBQFCKKMESWEKO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6ClNO2.Li/c1-4-2-3-5(8)6(9-4)7(10)11;/h2-3H,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of lithium 3-chloro-6-methylpyridine-2-carboxylate?
lithium 3-chloro-6-methylpyridine-2-carboxylate has a molecular weight of 177.52 g/mol, XLogP of -2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-chloro-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 66749896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).