methyl 6-bromonaphthalene-2-carboxylate

C12H9BrO2 — CID 854134

IUPACmethyl 6-bromonaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C12H9BrO2/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3
InChIKeyJEUBRLPXJZOGPX-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.39
Rot. Bonds1

About methyl 6-bromonaphthalene-2-carboxylate

methyl 6-bromonaphthalene-2-carboxylate (PubChem CID 854134) has the molecular formula C12H9BrO2 and a molecular weight of 265.11 g/mol. Its IUPAC name is methyl 6-bromonaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromonaphthalene-2-carboxylate
PubChem CID854134
Molecular FormulaC12H9BrO2
Molecular Weight265.11 g/mol
Exact Mass263.98
IUPAC Namemethyl 6-bromonaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C12H9BrO2/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3
InChIKeyJEUBRLPXJZOGPX-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 6-bromonaphthalene-2-carboxylate?
The IUPAC name of methyl 6-bromonaphthalene-2-carboxylate (CID 854134) is methyl 6-bromonaphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-bromonaphthalene-2-carboxylate?
The canonical SMILES for methyl 6-bromonaphthalene-2-carboxylate is COC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of methyl 6-bromonaphthalene-2-carboxylate?
The InChIKey is JEUBRLPXJZOGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3.
What are the key properties of methyl 6-bromonaphthalene-2-carboxylate?
methyl 6-bromonaphthalene-2-carboxylate has a molecular weight of 265.11 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromonaphthalene-2-carboxylate is sourced from PubChem (CID 854134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).