naphthalen-1-yl 2-ethoxypyridine-3-carboxylate

C18H15NO3 — CID 7913806

IUPACnaphthalen-1-yl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C18H15NO3/c1-2-21-17-15(10-6-12-19-17)18(20)22-16-11-5-8-13-7-3-4-9-14(13)16/h3-12H,2H2,1H3
InChIKeyLGQCFGNTYJHSGB-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.85
Rot. Bonds4

About naphthalen-1-yl 2-ethoxypyridine-3-carboxylate

naphthalen-1-yl 2-ethoxypyridine-3-carboxylate (PubChem CID 7913806) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is naphthalen-1-yl 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-yl 2-ethoxypyridine-3-carboxylate
PubChem CID7913806
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Namenaphthalen-1-yl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C18H15NO3/c1-2-21-17-15(10-6-12-19-17)18(20)22-16-11-5-8-13-7-3-4-9-14(13)16/h3-12H,2H2,1H3
InChIKeyLGQCFGNTYJHSGB-UHFFFAOYSA-N
XLogP3.85
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-cyanophenyl) 2-ethoxypyridine-3-carboxylate
CID 17444587
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
[2-(1,3-benzothiazol-2-yl)phenyl] 2-ethoxypyridine-3-carboxylate
CID 7936346
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
benzyl 2-ethoxypyridine-3-carboxylate
CID 2369615
diquinolin-8-yl benzene-1,2-dicarboxylate
CID 154085915
naphthalen-1-yl 2-propan-2-yloxybenzoate
CID 23013102
1-O-heptyl 2-O-naphthalen-1-yl benzene-1,2-dicarboxylate
CID 6423492
quinolin-8-yl 1-hydroxynaphthalene-2-carboxylate
CID 90474305
naphthalen-1-yl dibenzofuran-1-carboxylate
CID 134956412
dinaphthalen-1-yl 2-methylbenzene-1,4-dicarboxylate
CID 139985706
ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate
CID 24705692

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 2-ethoxypyridine-3-carboxylate?
The IUPAC name of naphthalen-1-yl 2-ethoxypyridine-3-carboxylate (CID 7913806) is naphthalen-1-yl 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for naphthalen-1-yl 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for naphthalen-1-yl 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl 2-ethoxypyridine-3-carboxylate?
The InChIKey is LGQCFGNTYJHSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-21-17-15(10-6-12-19-17)18(20)22-16-11-5-8-13-7-3-4-9-14(13)16/h3-12H,2H2,1H3.
What are the key properties of naphthalen-1-yl 2-ethoxypyridine-3-carboxylate?
naphthalen-1-yl 2-ethoxypyridine-3-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 7913806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).