methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate

C16H11Cl3F2N2O3 — CID 68599187

IUPACmethyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(C(F)F)c2Cl)cc(NC(C)=O)c1Cl
InChIInChI=1S/C16H11Cl3F2N2O3/c1-6(24)22-10-5-9(23-14(13(10)19)16(25)26-2)7-3-4-8(17)11(12(7)18)15(20)21/h3-5,15H,1-2H3,(H,22,23,24)
InChIKeyDWZOLWFTRCAXRX-UHFFFAOYSA-N
MW423.63 g/mol
LogP5.39
Rot. Bonds4

About methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate

methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 68599187) has the molecular formula C16H11Cl3F2N2O3 and a molecular weight of 423.63 g/mol. Its IUPAC name is methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate
PubChem CID68599187
Molecular FormulaC16H11Cl3F2N2O3
Molecular Weight423.63 g/mol
Exact Mass421.98
IUPAC Namemethyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(C(F)F)c2Cl)cc(NC(C)=O)c1Cl
InChIInChI=1S/C16H11Cl3F2N2O3/c1-6(24)22-10-5-9(23-14(13(10)19)16(25)26-2)7-3-4-8(17)11(12(7)18)15(20)21/h3-5,15H,1-2H3,(H,22,23,24)
InChIKeyDWZOLWFTRCAXRX-UHFFFAOYSA-N
XLogP5.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.63
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate
CID 142760620
4-acetamido-3-chloro-6-[2,4-dichloro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylic acid
CID 68810468
6-(4-acetamido-5-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid
CID 90416355
methyl 4-acetamido-3-chloro-6-(4-chloro-3-fluoro-2-formylphenyl)pyridine-2-carboxylate
CID 90415466
methyl 4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylate
CID 68600593
methyl 4-acetamido-3-chloro-6-(4-fluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate
CID 68810120
methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636585
methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate
CID 123968717
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate
CID 68599293
methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
CID 68596195
methyl 3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-4-methylpyridine-2-carboxylate
CID 138549772
methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate
CID 22677410

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate (CID 68599187) is methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)c(C(F)F)c2Cl)cc(NC(C)=O)c1Cl.
What is the InChIKey of methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is DWZOLWFTRCAXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3F2N2O3/c1-6(24)22-10-5-9(23-14(13(10)19)16(25)26-2)7-3-4-8(17)11(12(7)18)15(20)21/h3-5,15H,1-2H3,(H,22,23,24).
What are the key properties of methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate?
methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 423.63 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 68599187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).