ethyl 6-iodonaphthalene-2-carboxylate

C13H11IO2 — CID 58151998

IUPACethyl 6-iodonaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2cc(I)ccc2c1
InChIInChI=1S/C13H11IO2/c1-2-16-13(15)11-4-3-10-8-12(14)6-5-9(10)7-11/h3-8H,2H2,1H3
InChIKeyDYHSZMHEZOYAQV-UHFFFAOYSA-N
MW326.13 g/mol
LogP3.62
Rot. Bonds2

About ethyl 6-iodonaphthalene-2-carboxylate

ethyl 6-iodonaphthalene-2-carboxylate (PubChem CID 58151998) has the molecular formula C13H11IO2 and a molecular weight of 326.13 g/mol. Its IUPAC name is ethyl 6-iodonaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-iodonaphthalene-2-carboxylate
PubChem CID58151998
Molecular FormulaC13H11IO2
Molecular Weight326.13 g/mol
Exact Mass325.98
IUPAC Nameethyl 6-iodonaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2cc(I)ccc2c1
InChIInChI=1S/C13H11IO2/c1-2-16-13(15)11-4-3-10-8-12(14)6-5-9(10)7-11/h3-8H,2H2,1H3
InChIKeyDYHSZMHEZOYAQV-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
CID 67965026
ethyl 4-hydroxy-3-iodobenzoate
CID 11220038
ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 166059456
ethyl 2-ethylquinoline-6-carboxylate
CID 142697026
ethyl 2-oxo-1H-quinoline-7-carboxylate
CID 15091487
diethyl benzene-1,3-dicarboxylate
CID 12491
bis(1-ethoxy-1-oxopropan-2-yl) naphthalene-2,6-dicarboxylate
CID 19746975
ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate
CID 144557460
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate
CID 18769105

Frequently Asked Questions

What is the IUPAC name of ethyl 6-iodonaphthalene-2-carboxylate?
The IUPAC name of ethyl 6-iodonaphthalene-2-carboxylate (CID 58151998) is ethyl 6-iodonaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 6-iodonaphthalene-2-carboxylate?
The canonical SMILES for ethyl 6-iodonaphthalene-2-carboxylate is CCOC(=O)c1ccc2cc(I)ccc2c1.
What is the InChIKey of ethyl 6-iodonaphthalene-2-carboxylate?
The InChIKey is DYHSZMHEZOYAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO2/c1-2-16-13(15)11-4-3-10-8-12(14)6-5-9(10)7-11/h3-8H,2H2,1H3.
What are the key properties of ethyl 6-iodonaphthalene-2-carboxylate?
ethyl 6-iodonaphthalene-2-carboxylate has a molecular weight of 326.13 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-iodonaphthalene-2-carboxylate is sourced from PubChem (CID 58151998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).