naphthalen-1-yl pyridine-4-carboxylate

C16H11NO2 — CID 1202290

IUPACnaphthalen-1-yl pyridine-4-carboxylate
SMILESO=C(Oc1cccc2ccccc12)c1ccncc1
InChIInChI=1S/C16H11NO2/c18-16(13-8-10-17-11-9-13)19-15-7-3-5-12-4-1-2-6-14(12)15/h1-11H
InChIKeyMTGREIZHUOLDIX-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.45
Rot. Bonds2

About naphthalen-1-yl pyridine-4-carboxylate

naphthalen-1-yl pyridine-4-carboxylate (PubChem CID 1202290) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is naphthalen-1-yl pyridine-4-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-yl pyridine-4-carboxylate
PubChem CID1202290
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Namenaphthalen-1-yl pyridine-4-carboxylate
SMILESO=C(Oc1cccc2ccccc12)c1ccncc1
InChIInChI=1S/C16H11NO2/c18-16(13-8-10-17-11-9-13)19-15-7-3-5-12-4-1-2-6-14(12)15/h1-11H
InChIKeyMTGREIZHUOLDIX-UHFFFAOYSA-N
XLogP3.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl pyridine-4-carboxylate?
The IUPAC name of naphthalen-1-yl pyridine-4-carboxylate (CID 1202290) is naphthalen-1-yl pyridine-4-carboxylate.
What is the SMILES notation for naphthalen-1-yl pyridine-4-carboxylate?
The canonical SMILES for naphthalen-1-yl pyridine-4-carboxylate is O=C(Oc1cccc2ccccc12)c1ccncc1.
What is the InChIKey of naphthalen-1-yl pyridine-4-carboxylate?
The InChIKey is MTGREIZHUOLDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16(13-8-10-17-11-9-13)19-15-7-3-5-12-4-1-2-6-14(12)15/h1-11H.
What are the key properties of naphthalen-1-yl pyridine-4-carboxylate?
naphthalen-1-yl pyridine-4-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl pyridine-4-carboxylate is sourced from PubChem (CID 1202290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).