8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol

C15H9Cl2NO2 — CID 54182446

IUPAC8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol
SMILESOc1ccc2cccc(Oc3ncc(Cl)cc3Cl)c2c1
InChIInChI=1S/C15H9Cl2NO2/c16-10-6-13(17)15(18-8-10)20-14-3-1-2-9-4-5-11(19)7-12(9)14/h1-8,19H
InChIKeyPCTTYVNJSORKKD-UHFFFAOYSA-N
MW306.15 g/mol
LogP5.04
Rot. Bonds2

About 8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol

8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol (PubChem CID 54182446) has the molecular formula C15H9Cl2NO2 and a molecular weight of 306.15 g/mol. Its IUPAC name is 8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol.

Molecular Properties

Compound Name8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol
PubChem CID54182446
Molecular FormulaC15H9Cl2NO2
Molecular Weight306.15 g/mol
Exact Mass305.00
IUPAC Name8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol
SMILESOc1ccc2cccc(Oc3ncc(Cl)cc3Cl)c2c1
InChIInChI=1S/C15H9Cl2NO2/c16-10-6-13(17)15(18-8-10)20-14-3-1-2-9-4-5-11(19)7-12(9)14/h1-8,19H
InChIKeyPCTTYVNJSORKKD-UHFFFAOYSA-N
XLogP5.04
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.15
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol?
The IUPAC name of 8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol (CID 54182446) is 8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol.
What is the SMILES notation for 8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol?
The canonical SMILES for 8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol is Oc1ccc2cccc(Oc3ncc(Cl)cc3Cl)c2c1.
What is the InChIKey of 8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol?
The InChIKey is PCTTYVNJSORKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2/c16-10-6-13(17)15(18-8-10)20-14-3-1-2-9-4-5-11(19)7-12(9)14/h1-8,19H.
What are the key properties of 8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol?
8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol has a molecular weight of 306.15 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol is sourced from PubChem (CID 54182446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).