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Methyl 4-(acetylamino)-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate

HCID 67210962
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(NC(C)=O)c1Cl
InChIKey
PFDJLYKMYMHPMM-UHFFFAOYSA-N
Molecular formula
C16H13Cl2FN2O4
Average molar mass
387.2 g/mol

Names & identifiers

Preferred name
Methyl 4-(acetylamino)-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
IUPAC
methyl 4-acetamido-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate

Names & synonyms

SCHEMBL1918400PFDJLYKMYMHPMM-UHFFFAOYSA-Nmethyl 4-(acetylamino)-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate4-Acetylamino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-pyridine-2-carboxylic acid methyl ester4-Acetylamino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
67210962

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
77.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Formal charge
0
Complexity
499

Related reactions

17 records
New reaction record
HRID 169462 reaction equation
HRID 169462As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 245290 reaction equation
HRID 245290As reactantuspto-grants-2014_02
HRID 245292 reaction equation
HRID 245292As reactantuspto-grants-2014_02
HRID 245294 reaction equation
HRID 245294As reactantuspto-grants-2014_02
HRID 406454 reaction equation
HRID 406454As productuspto-grants-2014_06
HRID 406455 reaction equation
HRID 406455As productuspto-grants-2014_06
HRID 406456 reaction equation
HRID 406456As productuspto-grants-2014_06
HRID 406457 reaction equation
HRID 406457As reactantuspto-grants-2014_06
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Compound notes

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