methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate

C13H7Cl4NO2 — CID 133087927

IUPACmethyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cl)nc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl4NO2/c1-20-13(19)6-2-5-9(16)18-12(6)10-7(14)3-4-8(15)11(10)17/h2-5H,1H3
InChIKeyZLGGRQHQJRINOQ-UHFFFAOYSA-N
MW351.02 g/mol
LogP5.15
Rot. Bonds2

About methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate

methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate (PubChem CID 133087927) has the molecular formula C13H7Cl4NO2 and a molecular weight of 351.02 g/mol. Its IUPAC name is methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
PubChem CID133087927
Molecular FormulaC13H7Cl4NO2
Molecular Weight351.02 g/mol
Exact Mass348.92
IUPAC Namemethyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cl)nc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl4NO2/c1-20-13(19)6-2-5-9(16)18-12(6)10-7(14)3-4-8(15)11(10)17/h2-5H,1H3
InChIKeyZLGGRQHQJRINOQ-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'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

methyl 6-chloro-2-(2,3,4,5,6-pentachlorophenyl)pyridine-3-carboxylate
CID 134637790
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133090466
methyl 2-oxo-3-(2,3,6-trichlorophenyl)-1H-pyridine-4-carboxylate
CID 133092673
methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133091002
methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130095660
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133090464
methyl 2,4-dichloro-3-fluorobenzoate
CID 121228328
methyl 5,8-dichloro-2-methylquinoline-4-carboxylate
CID 82574673
methyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate
CID 56993361
methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate
CID 133088044
methyl 6-chloro-2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 167311278
methyl 4-chloro-2,3-diiodobenzoate
CID 131027106

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate (CID 133087927) is methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate is COC(=O)c1ccc(Cl)nc1-c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate?
The InChIKey is ZLGGRQHQJRINOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO2/c1-20-13(19)6-2-5-9(16)18-12(6)10-7(14)3-4-8(15)11(10)17/h2-5H,1H3.
What are the key properties of methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate?
methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-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-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 133087927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).