methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate

C13H7Cl4NO2 — CID 134636585

IUPACmethyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(Cl)c2Cl)ccc1Cl
InChIInChI=1S/C13H7Cl4NO2/c1-20-13(19)12-8(15)4-5-9(18-12)6-2-3-7(14)11(17)10(6)16/h2-5H,1H3
InChIKeyDJSIVIIZJOMBFR-UHFFFAOYSA-N
MW351.02 g/mol
LogP5.15
Rot. Bonds2

About methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate

methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate (PubChem CID 134636585) has the molecular formula C13H7Cl4NO2 and a molecular weight of 351.02 g/mol. Its IUPAC name is methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
PubChem CID134636585
Molecular FormulaC13H7Cl4NO2
Molecular Weight351.02 g/mol
Exact Mass348.92
IUPAC Namemethyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(Cl)c2Cl)ccc1Cl
InChIInChI=1S/C13H7Cl4NO2/c1-20-13(19)12-8(15)4-5-9(18-12)6-2-3-7(14)11(17)10(6)16/h2-5H,1H3
InChIKeyDJSIVIIZJOMBFR-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': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 142574576
methyl 3-chloro-6-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 142574432
methyl 2-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636687
methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate
CID 133090667
methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
CID 68596195
methyl 3-chloro-6-nitropyridine-2-carboxylate
CID 130837719
methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate
CID 68599187
methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate
CID 90441363
methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 142574254
methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636682
3-methoxy-2-nitro-6-(2,3,4-trichlorophenyl)pyridine
CID 134636384
methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate
CID 142760620

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate (CID 134636585) is methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2Cl)ccc1Cl.
What is the InChIKey of methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate?
The InChIKey is DJSIVIIZJOMBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO2/c1-20-13(19)12-8(15)4-5-9(18-12)6-2-3-7(14)11(17)10(6)16/h2-5H,1H3.
What are the key properties of methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate?
methyl 3-chloro-6-(2,3,4-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 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 134636585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).