potassium 4-amino-3,5,6-trichloropyridine-2-carboxylate

C6H2Cl3KN2O2 — CID 23664718

IUPACpotassium 4-amino-3,5,6-trichloropyridine-2-carboxylate
SMILESNc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl.[K+]
InChIInChI=1S/C6H3Cl3N2O2.K/c7-1-3(10)2(8)5(9)11-4(1)6(12)13;/h(H2,10,11)(H,12,13);/q;+1/p-1
InChIKeyZRHANBBTXQZFSP-UHFFFAOYSA-M
MW279.55 g/mol
LogP-2.01
Rot. Bonds1

About potassium 4-amino-3,5,6-trichloropyridine-2-carboxylate

potassium 4-amino-3,5,6-trichloropyridine-2-carboxylate (PubChem CID 23664718) has the molecular formula C6H2Cl3KN2O2 and a molecular weight of 279.55 g/mol. Its IUPAC name is potassium 4-amino-3,5,6-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Namepotassium 4-amino-3,5,6-trichloropyridine-2-carboxylate
PubChem CID23664718
Molecular FormulaC6H2Cl3KN2O2
Molecular Weight279.55 g/mol
Exact Mass277.88
IUPAC Namepotassium 4-amino-3,5,6-trichloropyridine-2-carboxylate
SMILESNc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl.[K+]
InChIInChI=1S/C6H3Cl3N2O2.K/c7-1-3(10)2(8)5(9)11-4(1)6(12)13;/h(H2,10,11)(H,12,13);/q;+1/p-1
InChIKeyZRHANBBTXQZFSP-UHFFFAOYSA-M
XLogP-2.01
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.55
LogP ≤ 5-2.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-amino-3,5,6-trichloropyridine-2-carboxylate?
The IUPAC name of potassium 4-amino-3,5,6-trichloropyridine-2-carboxylate (CID 23664718) is potassium 4-amino-3,5,6-trichloropyridine-2-carboxylate.
What is the SMILES notation for potassium 4-amino-3,5,6-trichloropyridine-2-carboxylate?
The canonical SMILES for potassium 4-amino-3,5,6-trichloropyridine-2-carboxylate is Nc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl.[K+].
What is the InChIKey of potassium 4-amino-3,5,6-trichloropyridine-2-carboxylate?
The InChIKey is ZRHANBBTXQZFSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3Cl3N2O2.K/c7-1-3(10)2(8)5(9)11-4(1)6(12)13;/h(H2,10,11)(H,12,13);/q;+1/p-1.
What are the key properties of potassium 4-amino-3,5,6-trichloropyridine-2-carboxylate?
potassium 4-amino-3,5,6-trichloropyridine-2-carboxylate has a molecular weight of 279.55 g/mol, XLogP of -2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-amino-3,5,6-trichloropyridine-2-carboxylate is sourced from PubChem (CID 23664718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).