Methyl 4-((5-chloropyridin-3-yl)methoxy)benzoate

HCID 59625946

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1ccc(OCc2cncc(Cl)c2)cc1
InChIKey: CVFDWRHWHXTNPY-UHFFFAOYSA-N
Molecular formula: C14H12ClNO3
Average molar mass: 277.7 g/mol

Names & identifiers

Preferred name: Methyl 4-((5-chloropyridin-3-yl)methoxy)benzoate
IUPAC: methyl 4-[(5-chloro-3-pyridinyl)methoxy]benzoate

Names & synonyms

SCHEMBL693288CVFDWRHWHXTNPY-UHFFFAOYSA-NMethyl 4-((5-chloropyridin-3-yl)methoxy)benzoate

Database identifiers

PubChem CID: 59625946

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 48.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 292

Related reactions

18 records

New reaction record

HRID 184184As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 401657As productuspto-grants-2014_06

HRID 401658As reactantuspto-grants-2014_06

HRID 468127As productuspto-grants-2014_01

HRID 468128As reactantuspto-grants-2014_01

HRID 666673As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1023078As productuspto-grants-2014_05

HRID 1023079As reactantuspto-grants-2014_05

Compound notes

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