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

C6H2Cl3NO2 — CID 12993692

IUPAC4,5,6-trichloropyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c(Cl)c(Cl)n1
InChIInChI=1S/C6H2Cl3NO2/c7-2-1-3(6(11)12)10-5(9)4(2)8/h1H,(H,11,12)
InChIKeyLHGHJAGVMNLDGA-UHFFFAOYSA-N
MW226.45 g/mol
LogP2.74
Rot. Bonds1

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

4,5,6-trichloropyridine-2-carboxylic acid (PubChem CID 12993692) has the molecular formula C6H2Cl3NO2 and a molecular weight of 226.45 g/mol. Its IUPAC name is 4,5,6-trichloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4,5,6-trichloropyridine-2-carboxylic acid
PubChem CID12993692
Molecular FormulaC6H2Cl3NO2
Molecular Weight226.45 g/mol
Exact Mass224.92
IUPAC Name4,5,6-trichloropyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c(Cl)c(Cl)n1
InChIInChI=1S/C6H2Cl3NO2/c7-2-1-3(6(11)12)10-5(9)4(2)8/h1H,(H,11,12)
InChIKeyLHGHJAGVMNLDGA-UHFFFAOYSA-N
XLogP2.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Picloram
CID 15965
2,6-Pyridinedicarboxylic acid
CID 10367
Clopyralid
CID 15553
Aminopyralid
CID 213012
6-Chloropicolinic acid
CID 20812
Clopyralid-olamine
CID 162839
6-Methylpyridine-2-carboxylic acid
CID 70282
3,4,5-Trichloropyridine-2-carboxylic acid
CID 225521
3,4,5,6-Tetrachloropyridine-2-carboxylic acid
CID 82646
4-Chloropyridine-2-carboxylic acid
CID 230890
4-Chloro-2,6-pyridinedicarboxylic Acid
CID 304010
Methyl 6-chloropicolinate
CID 242723

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trichloropyridine-2-carboxylic acid?
The IUPAC name of 4,5,6-trichloropyridine-2-carboxylic acid (CID 12993692) is 4,5,6-trichloropyridine-2-carboxylic acid.
What is the SMILES notation for 4,5,6-trichloropyridine-2-carboxylic acid?
The canonical SMILES for 4,5,6-trichloropyridine-2-carboxylic acid is O=C(O)c1cc(Cl)c(Cl)c(Cl)n1.
What is the InChIKey of 4,5,6-trichloropyridine-2-carboxylic acid?
The InChIKey is LHGHJAGVMNLDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl3NO2/c7-2-1-3(6(11)12)10-5(9)4(2)8/h1H,(H,11,12).
What are the key properties of 4,5,6-trichloropyridine-2-carboxylic acid?
4,5,6-trichloropyridine-2-carboxylic acid has a molecular weight of 226.45 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trichloropyridine-2-carboxylic acid is sourced from PubChem (CID 12993692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).