4-(4-Benzyloxycarbonylamino-2-fluorophenoxy)pyridine-2-carboxylic acid methyl ester

HCID 57677751

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1cc(Oc2ccc(NC(=O)OCc3ccccc3)cc2F)ccn1
InChIKey: VIOHVQFKLHSBCO-UHFFFAOYSA-N
Molecular formula: C21H17FN2O5
Average molar mass: 396.4 g/mol

Names & identifiers

Preferred name: 4-(4-Benzyloxycarbonylamino-2-fluorophenoxy)pyridine-2-carboxylic acid methyl ester
IUPAC: methyl 4-[2-fluoro-4-(phenylmethoxycarbonylamino)phenoxy]pyridine-2-carboxylate

Names & synonyms

SCHEMBL3555117VIOHVQFKLHSBCO-UHFFFAOYSA-N4-(4-Benzyloxycarbonylamino-2-fluorophenoxy)pyridine-2-carboxylic acid methyl ester

Database identifiers

PubChem CID: 57677751

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 86.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 543

Related reactions

9 records

New reaction record

HRID 492837As productuspto-grants-2009_05

HRID 492838As reactantuspto-grants-2009_05

HRID 811217As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1568645As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2066176As productuspto-grants-2012_10

HRID 2066177As reactantuspto-grants-2012_10

HRID 2161368As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2265600As productuspto-grants-2010_12

Compound notes

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