methyl 3-bromonaphthalene-1-carboxylate

C12H9BrO2 — CID 11311609

IUPACmethyl 3-bromonaphthalene-1-carboxylate
SMILESCOC(=O)c1cc(Br)cc2ccccc12
InChIInChI=1S/C12H9BrO2/c1-15-12(14)11-7-9(13)6-8-4-2-3-5-10(8)11/h2-7H,1H3
InChIKeyBAIYNFZNNISXSV-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.39
Rot. Bonds1

About methyl 3-bromonaphthalene-1-carboxylate

methyl 3-bromonaphthalene-1-carboxylate (PubChem CID 11311609) has the molecular formula C12H9BrO2 and a molecular weight of 265.11 g/mol. Its IUPAC name is methyl 3-bromonaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromonaphthalene-1-carboxylate
PubChem CID11311609
Molecular FormulaC12H9BrO2
Molecular Weight265.11 g/mol
Exact Mass263.98
IUPAC Namemethyl 3-bromonaphthalene-1-carboxylate
SMILESCOC(=O)c1cc(Br)cc2ccccc12
InChIInChI=1S/C12H9BrO2/c1-15-12(14)11-7-9(13)6-8-4-2-3-5-10(8)11/h2-7H,1H3
InChIKeyBAIYNFZNNISXSV-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

methyl 3-bromophenanthrene-9-carboxylate
CID 15646920
methyl 3-methylsulfinylnaphthalene-1-carboxylate
CID 22622393
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
ethane;methyl 5-bromo-2-naphthalen-1-ylbenzoate
CID 144844652
methyl 3-(dimethylcarbamoylsulfanyl)naphthalene-1-carboxylate
CID 22622310
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
methyl 3-aminonaphthalene-1-carboxylate;methyl 3-chloronaphthalene-1-carboxylate
CID 159342041
2-[(3-bromonaphthalene-1-carbonyl)amino]-4-methoxybutanoic acid
CID 120702545
methyl 6-bromo-2-oxo-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-10-carboxylate
CID 59677371
dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
CID 2752722
methyl 3-nitronaphthalene-1-carboxylate;3-nitronaphthalene-1-carboxylic acid
CID 160751815

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromonaphthalene-1-carboxylate?
The IUPAC name of methyl 3-bromonaphthalene-1-carboxylate (CID 11311609) is methyl 3-bromonaphthalene-1-carboxylate.
What is the SMILES notation for methyl 3-bromonaphthalene-1-carboxylate?
The canonical SMILES for methyl 3-bromonaphthalene-1-carboxylate is COC(=O)c1cc(Br)cc2ccccc12.
What is the InChIKey of methyl 3-bromonaphthalene-1-carboxylate?
The InChIKey is BAIYNFZNNISXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2/c1-15-12(14)11-7-9(13)6-8-4-2-3-5-10(8)11/h2-7H,1H3.
What are the key properties of methyl 3-bromonaphthalene-1-carboxylate?
methyl 3-bromonaphthalene-1-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 3-bromonaphthalene-1-carboxylate is sourced from PubChem (CID 11311609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).