4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine

C15H11ClN2O — CID 55228286

IUPAC4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine
SMILESNc1ccc(Oc2ncccc2Cl)c2ccccc12
InChIInChI=1S/C15H11ClN2O/c16-12-6-3-9-18-15(12)19-14-8-7-13(17)10-4-1-2-5-11(10)14/h1-9H,17H2
InChIKeyYRWWILUWLRAMCY-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.26
Rot. Bonds2

About 4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine

4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine (PubChem CID 55228286) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine.

Molecular Properties

Compound Name4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine
PubChem CID55228286
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine
SMILESNc1ccc(Oc2ncccc2Cl)c2ccccc12
InChIInChI=1S/C15H11ClN2O/c16-12-6-3-9-18-15(12)19-14-8-7-13(17)10-4-1-2-5-11(10)14/h1-9H,17H2
InChIKeyYRWWILUWLRAMCY-UHFFFAOYSA-N
XLogP4.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine?
The IUPAC name of 4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine (CID 55228286) is 4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine.
What is the SMILES notation for 4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine?
The canonical SMILES for 4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine is Nc1ccc(Oc2ncccc2Cl)c2ccccc12.
What is the InChIKey of 4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine?
The InChIKey is YRWWILUWLRAMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-12-6-3-9-18-15(12)19-14-8-7-13(17)10-4-1-2-5-11(10)14/h1-9H,17H2.
What are the key properties of 4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine?
4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine has a molecular weight of 270.72 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine is sourced from PubChem (CID 55228286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).