methyl 1-bromonaphthalene-2-carboxylate

C12H9BrO2 — CID 10945333

IUPACmethyl 1-bromonaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1Br
InChIInChI=1S/C12H9BrO2/c1-15-12(14)10-7-6-8-4-2-3-5-9(8)11(10)13/h2-7H,1H3
InChIKeyDAUCSGSCDZOKLE-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.39
Rot. Bonds1

About methyl 1-bromonaphthalene-2-carboxylate

methyl 1-bromonaphthalene-2-carboxylate (PubChem CID 10945333) has the molecular formula C12H9BrO2 and a molecular weight of 265.11 g/mol. Its IUPAC name is methyl 1-bromonaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-bromonaphthalene-2-carboxylate
PubChem CID10945333
Molecular FormulaC12H9BrO2
Molecular Weight265.11 g/mol
Exact Mass263.98
IUPAC Namemethyl 1-bromonaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1Br
InChIInChI=1S/C12H9BrO2/c1-15-12(14)10-7-6-8-4-2-3-5-9(8)11(10)13/h2-7H,1H3
InChIKeyDAUCSGSCDZOKLE-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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Related Compounds

Dimethyl-2,6-naphthalenedicarboxylate
CID 61225
Methyl 2-naphthoate
CID 137605
1-Bromo-2-naphthoic acid
CID 88665
8-Bromo-1-naphthoic acid
CID 72873
Ethyl 2-naphthoate
CID 76363
Naphthalenecarboxylic acid, methyl ester
CID 120056
4-Bromo-1-naphthoic acid
CID 282591
1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 6-bromo-
CID 66493
Methyl 2-(naphthalen-2-yl)benzoate
CID 44332186
Methyl 4'-(bromomethyl)biphenyl-2-carboxylate
CID 11012181
Methyl 3-bromonaphthalene-1-carboxylate
CID 11311609
Ethyl 1-naphthoate
CID 76364

Frequently Asked Questions

What is the IUPAC name of methyl 1-bromonaphthalene-2-carboxylate?
The IUPAC name of methyl 1-bromonaphthalene-2-carboxylate (CID 10945333) is methyl 1-bromonaphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-bromonaphthalene-2-carboxylate?
The canonical SMILES for methyl 1-bromonaphthalene-2-carboxylate is COC(=O)c1ccc2ccccc2c1Br.
What is the InChIKey of methyl 1-bromonaphthalene-2-carboxylate?
The InChIKey is DAUCSGSCDZOKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2/c1-15-12(14)10-7-6-8-4-2-3-5-9(8)11(10)13/h2-7H,1H3.
What are the key properties of methyl 1-bromonaphthalene-2-carboxylate?
methyl 1-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 1-bromonaphthalene-2-carboxylate is sourced from PubChem (CID 10945333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).