ethyl 6,7-dichloronaphthalene-2-carboxylate

C13H10Cl2O2 — CID 10588016

IUPACethyl 6,7-dichloronaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2cc(Cl)c(Cl)cc2c1
InChIInChI=1S/C13H10Cl2O2/c1-2-17-13(16)9-4-3-8-6-11(14)12(15)7-10(8)5-9/h3-7H,2H2,1H3
InChIKeyIJPMHMOIJDDWCZ-UHFFFAOYSA-N
MW269.13 g/mol
LogP4.32
Rot. Bonds2

About ethyl 6,7-dichloronaphthalene-2-carboxylate

ethyl 6,7-dichloronaphthalene-2-carboxylate (PubChem CID 10588016) has the molecular formula C13H10Cl2O2 and a molecular weight of 269.13 g/mol. Its IUPAC name is ethyl 6,7-dichloronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dichloronaphthalene-2-carboxylate
PubChem CID10588016
Molecular FormulaC13H10Cl2O2
Molecular Weight269.13 g/mol
Exact Mass268.01
IUPAC Nameethyl 6,7-dichloronaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2cc(Cl)c(Cl)cc2c1
InChIInChI=1S/C13H10Cl2O2/c1-2-17-13(16)9-4-3-8-6-11(14)12(15)7-10(8)5-9/h3-7H,2H2,1H3
InChIKeyIJPMHMOIJDDWCZ-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 6-iodonaphthalene-2-carboxylate
CID 58151998
2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
CID 67965026
ethyl 2-chloroquinoline-7-carboxylate
CID 72942632
ethyl 4-acetyl-3-chlorobenzoate
CID 163253641
ethyl 3-chloro-4-propanoylbenzoate
CID 134642129
ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 166059456
ethyl 7-nitronaphthalene-2-carboxylate
CID 171990152
ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate
CID 18769105
ethyl 3-chloronaphthalene-2-carboxylate
CID 90487598
ethyl 2-ethylquinoline-6-carboxylate
CID 142697026
ethyl 4-chloro-3-sulfamoylbenzoate
CID 15938945

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dichloronaphthalene-2-carboxylate?
The IUPAC name of ethyl 6,7-dichloronaphthalene-2-carboxylate (CID 10588016) is ethyl 6,7-dichloronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 6,7-dichloronaphthalene-2-carboxylate?
The canonical SMILES for ethyl 6,7-dichloronaphthalene-2-carboxylate is CCOC(=O)c1ccc2cc(Cl)c(Cl)cc2c1.
What is the InChIKey of ethyl 6,7-dichloronaphthalene-2-carboxylate?
The InChIKey is IJPMHMOIJDDWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2/c1-2-17-13(16)9-4-3-8-6-11(14)12(15)7-10(8)5-9/h3-7H,2H2,1H3.
What are the key properties of ethyl 6,7-dichloronaphthalene-2-carboxylate?
ethyl 6,7-dichloronaphthalene-2-carboxylate has a molecular weight of 269.13 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dichloronaphthalene-2-carboxylate is sourced from PubChem (CID 10588016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).