4-amino-3,5,6-trichloropyridine-2-carboxylic acid

C6H3Cl3N2O2 — CID 15965

IUPAC4-amino-3,5,6-trichloropyridine-2-carboxylic acid
SMILESNc1c(Cl)c(Cl)nc(C(=O)O)c1Cl
InChIInChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)
InChIKeyNQQVFXUMIDALNH-UHFFFAOYSA-N
MW241.46 g/mol
LogP2.32
Rot. Bonds1

About 4-amino-3,5,6-trichloropyridine-2-carboxylic acid

4-amino-3,5,6-trichloropyridine-2-carboxylic acid (PubChem CID 15965) has the molecular formula C6H3Cl3N2O2 and a molecular weight of 241.46 g/mol. Its IUPAC name is 4-amino-3,5,6-trichloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3,5,6-trichloropyridine-2-carboxylic acid
PubChem CID15965
Molecular FormulaC6H3Cl3N2O2
Molecular Weight241.46 g/mol
Exact Mass239.93
IUPAC Name4-amino-3,5,6-trichloropyridine-2-carboxylic acid
SMILESNc1c(Cl)c(Cl)nc(C(=O)O)c1Cl
InChIInChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)
InChIKeyNQQVFXUMIDALNH-UHFFFAOYSA-N
XLogP2.32
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Aminopyralid
CID 213012
4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester
CID 2305185
3,4,5,6-Tetrachloropyridine-2-carboxylic acid
CID 82646
Picloram-methyl
CID 84224
Picloram-potassium
CID 23664718
Picloram, octyl ester
CID 4463130
picloram triisopropanolamine salt
CID 62620
Picloram, heptyl ester
CID 4392588
picloram triethylamine salt
CID 61949
2-Pyridinecarboxylic acid, 4,5,6-trichloro-
CID 12993692
2-Methylpropyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 728701
Pentyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 1556894

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5,6-trichloropyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3,5,6-trichloropyridine-2-carboxylic acid (CID 15965) is 4-amino-3,5,6-trichloropyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3,5,6-trichloropyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3,5,6-trichloropyridine-2-carboxylic acid is Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-3,5,6-trichloropyridine-2-carboxylic acid?
The InChIKey is NQQVFXUMIDALNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13).
What are the key properties of 4-amino-3,5,6-trichloropyridine-2-carboxylic acid?
4-amino-3,5,6-trichloropyridine-2-carboxylic acid has a molecular weight of 241.46 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5,6-trichloropyridine-2-carboxylic acid is sourced from PubChem (CID 15965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).