methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate

C19H9Cl6NO2 — CID 134636546

IUPACmethyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2c(Cl)cc(Cl)cc2Cl)cc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C19H9Cl6NO2/c1-28-19(27)18-11(17-14(24)5-10(21)6-15(17)25)2-8(7-26-18)16-12(22)3-9(20)4-13(16)23/h2-7H,1H3
InChIKeyHOTAZJQIPRQKDT-UHFFFAOYSA-N
MW496.00 g/mol
LogP8.12
Rot. Bonds3

About methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate

methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate (PubChem CID 134636546) has the molecular formula C19H9Cl6NO2 and a molecular weight of 496.00 g/mol. Its IUPAC name is methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate
PubChem CID134636546
Molecular FormulaC19H9Cl6NO2
Molecular Weight496.00 g/mol
Exact Mass492.88
IUPAC Namemethyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2c(Cl)cc(Cl)cc2Cl)cc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C19H9Cl6NO2/c1-28-19(27)18-11(17-14(24)5-10(21)6-15(17)25)2-8(7-26-18)16-12(22)3-9(20)4-13(16)23/h2-7H,1H3
InChIKeyHOTAZJQIPRQKDT-UHFFFAOYSA-N
XLogP8.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.00
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636206
methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate
CID 133090813
3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
CID 133092347
methyl 3-chloro-5-fluoropyridine-2-carboxylate
CID 46311235
methyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636624
methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate
CID 46317548
methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636636
methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate
CID 133090529
4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid
CID 141464391
methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134635499
2,3-dichloro-5-(2,4,6-trichlorophenyl)pyridine
CID 118815218

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate (CID 134636546) is methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate is COC(=O)c1ncc(-c2c(Cl)cc(Cl)cc2Cl)cc1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate?
The InChIKey is HOTAZJQIPRQKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl6NO2/c1-28-19(27)18-11(17-14(24)5-10(21)6-15(17)25)2-8(7-26-18)16-12(22)3-9(20)4-13(16)23/h2-7H,1H3.
What are the key properties of methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate?
methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate has a molecular weight of 496.00 g/mol, XLogP of 8.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 134636546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).