potassium 2-naphthalen-1-yl-3-pyridin-2-ylpropanoate

C18H14KNO2 — CID 23691986

IUPACpotassium 2-naphthalen-1-yl-3-pyridin-2-ylpropanoate
SMILESO=C([O-])C(Cc1ccccn1)c1cccc2ccccc12.[K+]
InChIInChI=1S/C18H15NO2.K/c20-18(21)17(12-14-8-3-4-11-19-14)16-10-5-7-13-6-1-2-9-15(13)16;/h1-11,17H,12H2,(H,20,21);/q;+1/p-1
InChIKeyGRAVEXLOHIMHAF-UHFFFAOYSA-M
MW315.41 g/mol
LogP-0.69
Rot. Bonds4

About potassium 2-naphthalen-1-yl-3-pyridin-2-ylpropanoate

potassium 2-naphthalen-1-yl-3-pyridin-2-ylpropanoate (PubChem CID 23691986) has the molecular formula C18H14KNO2 and a molecular weight of 315.41 g/mol. Its IUPAC name is potassium 2-naphthalen-1-yl-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namepotassium 2-naphthalen-1-yl-3-pyridin-2-ylpropanoate
PubChem CID23691986
Molecular FormulaC18H14KNO2
Molecular Weight315.41 g/mol
Exact Mass315.07
IUPAC Namepotassium 2-naphthalen-1-yl-3-pyridin-2-ylpropanoate
SMILESO=C([O-])C(Cc1ccccn1)c1cccc2ccccc12.[K+]
InChIInChI=1S/C18H15NO2.K/c20-18(21)17(12-14-8-3-4-11-19-14)16-10-5-7-13-6-1-2-9-15(13)16;/h1-11,17H,12H2,(H,20,21);/q;+1/p-1
InChIKeyGRAVEXLOHIMHAF-UHFFFAOYSA-M
XLogP-0.69
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 2-naphthalen-1-yl-3-pyridin-2-ylpropanoate?
The IUPAC name of potassium 2-naphthalen-1-yl-3-pyridin-2-ylpropanoate (CID 23691986) is potassium 2-naphthalen-1-yl-3-pyridin-2-ylpropanoate.
What is the SMILES notation for potassium 2-naphthalen-1-yl-3-pyridin-2-ylpropanoate?
The canonical SMILES for potassium 2-naphthalen-1-yl-3-pyridin-2-ylpropanoate is O=C([O-])C(Cc1ccccn1)c1cccc2ccccc12.[K+].
What is the InChIKey of potassium 2-naphthalen-1-yl-3-pyridin-2-ylpropanoate?
The InChIKey is GRAVEXLOHIMHAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15NO2.K/c20-18(21)17(12-14-8-3-4-11-19-14)16-10-5-7-13-6-1-2-9-15(13)16;/h1-11,17H,12H2,(H,20,21);/q;+1/p-1.
What are the key properties of potassium 2-naphthalen-1-yl-3-pyridin-2-ylpropanoate?
potassium 2-naphthalen-1-yl-3-pyridin-2-ylpropanoate has a molecular weight of 315.41 g/mol, XLogP of -0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-naphthalen-1-yl-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 23691986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).