methyl 5,6-dichloropyridine-3-carboxylate

C7H5Cl2NO2 — CID 2782166

IUPACmethyl 5,6-dichloropyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3
InChIKeyHWZINXYBRIQTEJ-UHFFFAOYSA-N
MW206.03 g/mol
LogP2.17
Rot. Bonds1

About methyl 5,6-dichloropyridine-3-carboxylate

methyl 5,6-dichloropyridine-3-carboxylate (PubChem CID 2782166) has the molecular formula C7H5Cl2NO2 and a molecular weight of 206.03 g/mol. Its IUPAC name is methyl 5,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dichloropyridine-3-carboxylate
PubChem CID2782166
Molecular FormulaC7H5Cl2NO2
Molecular Weight206.03 g/mol
Exact Mass204.97
IUPAC Namemethyl 5,6-dichloropyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3
InChIKeyHWZINXYBRIQTEJ-UHFFFAOYSA-N
XLogP2.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 5,6-dichloropyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5,6-dichloropyridine-3-carboxylate?
The IUPAC name of methyl 5,6-dichloropyridine-3-carboxylate (CID 2782166) is methyl 5,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for methyl 5,6-dichloropyridine-3-carboxylate?
The canonical SMILES for methyl 5,6-dichloropyridine-3-carboxylate is COC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of methyl 5,6-dichloropyridine-3-carboxylate?
The InChIKey is HWZINXYBRIQTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3.
What are the key properties of methyl 5,6-dichloropyridine-3-carboxylate?
methyl 5,6-dichloropyridine-3-carboxylate has a molecular weight of 206.03 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 2782166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).