methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate

C13H10ClNO3 — CID 3784687

IUPACmethyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1cccc(Oc2cccc(Cl)n2)c1
InChIInChI=1S/C13H10ClNO3/c1-17-13(16)9-4-2-5-10(8-9)18-12-7-3-6-11(14)15-12/h2-8H,1H3
InChIKeyVUSHPYUBWZHZGG-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.31
Rot. Bonds3

About methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate

methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate (PubChem CID 3784687) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate
PubChem CID3784687
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Namemethyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1cccc(Oc2cccc(Cl)n2)c1
InChIInChI=1S/C13H10ClNO3/c1-17-13(16)9-4-2-5-10(8-9)18-12-7-3-6-11(14)15-12/h2-8H,1H3
InChIKeyVUSHPYUBWZHZGG-UHFFFAOYSA-N
XLogP3.31
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2-amino-4-chlorophenoxy)benzoate
CID 26189305
methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate
CID 156540912
CID 59716384
CID 59716384
methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate
CID 66857367
methyl 3-(3-cyanophenoxy)benzoate
CID 139818102
methyl 3-[(6-chloro-2-pyridinyl)sulfamoyl]benzoate
CID 104821299
methyl 3-acetyloxybenzoate
CID 577969
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-(3-bromo-4-formylphenoxy)benzoate
CID 59525517
methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate
CID 22731359
3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea
CID 21391446

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate?
The IUPAC name of methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate (CID 3784687) is methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate.
What is the SMILES notation for methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate?
The canonical SMILES for methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate is COC(=O)c1cccc(Oc2cccc(Cl)n2)c1.
What is the InChIKey of methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate?
The InChIKey is VUSHPYUBWZHZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-17-13(16)9-4-2-5-10(8-9)18-12-7-3-6-11(14)15-12/h2-8H,1H3.
What are the key properties of methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate?
methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate has a molecular weight of 263.68 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate is sourced from PubChem (CID 3784687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).