methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate

C13H7Cl4NO2 — CID 134636636

IUPACmethyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)n1
InChIInChI=1S/C13H7Cl4NO2/c1-20-13(19)10-3-2-7(12(17)18-10)11-8(15)4-6(14)5-9(11)16/h2-5H,1H3
InChIKeyNVVUHOZVNHUTEA-UHFFFAOYSA-N
MW351.02 g/mol
LogP5.15
Rot. Bonds2

About methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate

methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate (PubChem CID 134636636) has the molecular formula C13H7Cl4NO2 and a molecular weight of 351.02 g/mol. Its IUPAC name is methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate
PubChem CID134636636
Molecular FormulaC13H7Cl4NO2
Molecular Weight351.02 g/mol
Exact Mass348.92
IUPAC Namemethyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)n1
InChIInChI=1S/C13H7Cl4NO2/c1-20-13(19)10-3-2-7(12(17)18-10)11-8(15)4-6(14)5-9(11)16/h2-5H,1H3
InChIKeyNVVUHOZVNHUTEA-UHFFFAOYSA-N
XLogP5.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.02
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133090472
methyl 5,6-bis(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylate
CID 134635394
methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 10126602
methyl 5-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133087058
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
methyl 6-chloro-8-iodoquinoline-2-carboxylate
CID 107629381
methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 134635647
methyl 5-chloro-8-fluoroquinoline-2-carboxylate
CID 102941497
methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636682
methyl 5-amino-6-(2,4-dichlorophenoxy)pyridine-2-carboxylate
CID 114408498
methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636661
methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate
CID 15274283

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate (CID 134636636) is methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate is COC(=O)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)n1.
What is the InChIKey of methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate?
The InChIKey is NVVUHOZVNHUTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO2/c1-20-13(19)10-3-2-7(12(17)18-10)11-8(15)4-6(14)5-9(11)16/h2-5H,1H3.
What are the key properties of methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate?
methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate has a molecular weight of 351.02 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 134636636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).