potassium 6-chloro-3-methylpyridine-2-carboxylate

C7H5ClKNO2 — CID 86707308

IUPACpotassium 6-chloro-3-methylpyridine-2-carboxylate
SMILESCc1ccc(Cl)nc1C(=O)[O-].[K+]
InChIInChI=1S/C7H6ClNO2.K/c1-4-2-3-5(8)9-6(4)7(10)11;/h2-3H,1H3,(H,10,11);/q;+1/p-1
InChIKeyIUTZJUYLKWNRJT-UHFFFAOYSA-M
MW209.67 g/mol
LogP-2.59
Rot. Bonds1

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

potassium 6-chloro-3-methylpyridine-2-carboxylate (PubChem CID 86707308) has the molecular formula C7H5ClKNO2 and a molecular weight of 209.67 g/mol. Its IUPAC name is potassium 6-chloro-3-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namepotassium 6-chloro-3-methylpyridine-2-carboxylate
PubChem CID86707308
Molecular FormulaC7H5ClKNO2
Molecular Weight209.67 g/mol
Exact Mass208.96
IUPAC Namepotassium 6-chloro-3-methylpyridine-2-carboxylate
SMILESCc1ccc(Cl)nc1C(=O)[O-].[K+]
InChIInChI=1S/C7H6ClNO2.K/c1-4-2-3-5(8)9-6(4)7(10)11;/h2-3H,1H3,(H,10,11);/q;+1/p-1
InChIKeyIUTZJUYLKWNRJT-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 ≤ 500209.67
LogP ≤ 5-2.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 6-chloro-3-methylpyridine-2-carboxylate?
The IUPAC name of potassium 6-chloro-3-methylpyridine-2-carboxylate (CID 86707308) is potassium 6-chloro-3-methylpyridine-2-carboxylate.
What is the SMILES notation for potassium 6-chloro-3-methylpyridine-2-carboxylate?
The canonical SMILES for potassium 6-chloro-3-methylpyridine-2-carboxylate is Cc1ccc(Cl)nc1C(=O)[O-].[K+].
What is the InChIKey of potassium 6-chloro-3-methylpyridine-2-carboxylate?
The InChIKey is IUTZJUYLKWNRJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6ClNO2.K/c1-4-2-3-5(8)9-6(4)7(10)11;/h2-3H,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 6-chloro-3-methylpyridine-2-carboxylate?
potassium 6-chloro-3-methylpyridine-2-carboxylate has a molecular weight of 209.67 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 potassium 6-chloro-3-methylpyridine-2-carboxylate is sourced from PubChem (CID 86707308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).