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

C10H11Cl3N2O2 — CID 728701

IUPAC2-methylpropyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
SMILESCC(C)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl
InChIInChI=1S/C10H11Cl3N2O2/c1-4(2)3-17-10(16)8-5(11)7(14)6(12)9(13)15-8/h4H,3H2,1-2H3,(H2,14,15)
InChIKeyZURTZOKKQIXKAL-UHFFFAOYSA-N
MW297.57 g/mol
LogP3.44
Rot. Bonds3

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

2-methylpropyl 4-amino-3,5,6-trichloropyridine-2-carboxylate (PubChem CID 728701) has the molecular formula C10H11Cl3N2O2 and a molecular weight of 297.57 g/mol. Its IUPAC name is 2-methylpropyl 4-amino-3,5,6-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
PubChem CID728701
Molecular FormulaC10H11Cl3N2O2
Molecular Weight297.57 g/mol
Exact Mass295.99
IUPAC Name2-methylpropyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
SMILESCC(C)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl
InChIInChI=1S/C10H11Cl3N2O2/c1-4(2)3-17-10(16)8-5(11)7(14)6(12)9(13)15-8/h4H,3H2,1-2H3,(H2,14,15)
InChIKeyZURTZOKKQIXKAL-UHFFFAOYSA-N
XLogP3.44
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.57
LogP ≤ 53.44
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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Related Compounds

Picloram
CID 15965
4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester
CID 2305185
Picloram-methyl
CID 84224
Picloram-potassium
CID 23664718
Picloram isooctyl ester
CID 18772488
Picloram, octyl ester
CID 4463130
picloram triisopropanolamine salt
CID 62620
Picloram, heptyl ester
CID 4392588
picloram triethylamine salt
CID 61949
3,4,5,6-Tetrachloro-pyridine-2-carboxylic acid methyl ester
CID 676444
Pentyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 1556894
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 7633679

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-amino-3,5,6-trichloropyridine-2-carboxylate?
The IUPAC name of 2-methylpropyl 4-amino-3,5,6-trichloropyridine-2-carboxylate (CID 728701) is 2-methylpropyl 4-amino-3,5,6-trichloropyridine-2-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-amino-3,5,6-trichloropyridine-2-carboxylate?
The canonical SMILES for 2-methylpropyl 4-amino-3,5,6-trichloropyridine-2-carboxylate is CC(C)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl.
What is the InChIKey of 2-methylpropyl 4-amino-3,5,6-trichloropyridine-2-carboxylate?
The InChIKey is ZURTZOKKQIXKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3N2O2/c1-4(2)3-17-10(16)8-5(11)7(14)6(12)9(13)15-8/h4H,3H2,1-2H3,(H2,14,15).
What are the key properties of 2-methylpropyl 4-amino-3,5,6-trichloropyridine-2-carboxylate?
2-methylpropyl 4-amino-3,5,6-trichloropyridine-2-carboxylate has a molecular weight of 297.57 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-amino-3,5,6-trichloropyridine-2-carboxylate is sourced from PubChem (CID 728701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).