[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate

C12H7Cl2NO3 — CID 87870610

IUPAC[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate
SMILESO=COc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C12H7Cl2NO3/c13-8-5-11(14)12(15-6-8)18-10-3-1-9(2-4-10)17-7-16/h1-7H
InChIKeyAJZZJRPXGTVYLR-UHFFFAOYSA-N
MW284.10 g/mol
LogP3.72
Rot. Bonds4

About [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate

[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate (PubChem CID 87870610) has the molecular formula C12H7Cl2NO3 and a molecular weight of 284.10 g/mol. Its IUPAC name is [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate.

Molecular Properties

Compound Name[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate
PubChem CID87870610
Molecular FormulaC12H7Cl2NO3
Molecular Weight284.10 g/mol
Exact Mass282.98
IUPAC Name[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate
SMILESO=COc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C12H7Cl2NO3/c13-8-5-11(14)12(15-6-8)18-10-3-1-9(2-4-10)17-7-16/h1-7H
InChIKeyAJZZJRPXGTVYLR-UHFFFAOYSA-N
XLogP3.72
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate?
The IUPAC name of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate (CID 87870610) is [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate.
What is the SMILES notation for [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate?
The canonical SMILES for [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate is O=COc1ccc(Oc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate?
The InChIKey is AJZZJRPXGTVYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO3/c13-8-5-11(14)12(15-6-8)18-10-3-1-9(2-4-10)17-7-16/h1-7H.
What are the key properties of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate?
[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate has a molecular weight of 284.10 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] formate is sourced from PubChem (CID 87870610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).