6-(6-chloropyridazin-3-yl)oxy-1H-naphthalen-2-one

C14H9ClN2O2 — CID 159518486

IUPAC6-(6-chloropyridazin-3-yl)oxy-1H-naphthalen-2-one
SMILESO=C1C=Cc2cc(Oc3ccc(Cl)nn3)ccc2C1
InChIInChI=1S/C14H9ClN2O2/c15-13-5-6-14(17-16-13)19-12-4-2-9-7-11(18)3-1-10(9)8-12/h1-6,8H,7H2
InChIKeyMBMTYUYASHIDRO-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.06
Rot. Bonds2

About 6-(6-chloropyridazin-3-yl)oxy-1H-naphthalen-2-one

6-(6-chloropyridazin-3-yl)oxy-1H-naphthalen-2-one (PubChem CID 159518486) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 6-(6-chloropyridazin-3-yl)oxy-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-(6-chloropyridazin-3-yl)oxy-1H-naphthalen-2-one
PubChem CID159518486
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name6-(6-chloropyridazin-3-yl)oxy-1H-naphthalen-2-one
SMILESO=C1C=Cc2cc(Oc3ccc(Cl)nn3)ccc2C1
InChIInChI=1S/C14H9ClN2O2/c15-13-5-6-14(17-16-13)19-12-4-2-9-7-11(18)3-1-10(9)8-12/h1-6,8H,7H2
InChIKeyMBMTYUYASHIDRO-UHFFFAOYSA-N
XLogP3.06
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloropyridazin-3-yl)oxy-1H-naphthalen-2-one?
The IUPAC name of 6-(6-chloropyridazin-3-yl)oxy-1H-naphthalen-2-one (CID 159518486) is 6-(6-chloropyridazin-3-yl)oxy-1H-naphthalen-2-one.
What is the SMILES notation for 6-(6-chloropyridazin-3-yl)oxy-1H-naphthalen-2-one?
The canonical SMILES for 6-(6-chloropyridazin-3-yl)oxy-1H-naphthalen-2-one is O=C1C=Cc2cc(Oc3ccc(Cl)nn3)ccc2C1.
What is the InChIKey of 6-(6-chloropyridazin-3-yl)oxy-1H-naphthalen-2-one?
The InChIKey is MBMTYUYASHIDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-13-5-6-14(17-16-13)19-12-4-2-9-7-11(18)3-1-10(9)8-12/h1-6,8H,7H2.
What are the key properties of 6-(6-chloropyridazin-3-yl)oxy-1H-naphthalen-2-one?
6-(6-chloropyridazin-3-yl)oxy-1H-naphthalen-2-one has a molecular weight of 272.69 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloropyridazin-3-yl)oxy-1H-naphthalen-2-one is sourced from PubChem (CID 159518486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).