bromo naphthalene-1-carboxylate

C11H7BrO2 — CID 68796403

IUPACbromo naphthalene-1-carboxylate
SMILESO=C(OBr)c1cccc2ccccc12
InChIInChI=1S/C11H7BrO2/c12-14-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyDIIYXHGFBMVGAQ-UHFFFAOYSA-N
MW251.08 g/mol
LogP3.31
Rot. Bonds1

About bromo naphthalene-1-carboxylate

bromo naphthalene-1-carboxylate (PubChem CID 68796403) has the molecular formula C11H7BrO2 and a molecular weight of 251.08 g/mol. Its IUPAC name is bromo naphthalene-1-carboxylate.

Molecular Properties

Compound Namebromo naphthalene-1-carboxylate
PubChem CID68796403
Molecular FormulaC11H7BrO2
Molecular Weight251.08 g/mol
Exact Mass249.96
IUPAC Namebromo naphthalene-1-carboxylate
SMILESO=C(OBr)c1cccc2ccccc12
InChIInChI=1S/C11H7BrO2/c12-14-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyDIIYXHGFBMVGAQ-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
magnesium;hydride;naphthalene-1-carboperoxoic acid
CID 175368397
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate
CID 134263043
1-hydroxyethyl naphthalene-1-carboxylate
CID 70181591
(2,4,6-tribromophenyl) naphthalene-1-carboxylate
CID 4586991
cyanomethyl naphthalene-1-carboxylate
CID 2477503
calcium;hydride;nitro naphthalene-1-carboxylate
CID 174900820
2-(naphthalene-1-carbonyloxy)benzoic acid
CID 54147008
naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate
CID 174648773
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804

Frequently Asked Questions

What is the IUPAC name of bromo naphthalene-1-carboxylate?
The IUPAC name of bromo naphthalene-1-carboxylate (CID 68796403) is bromo naphthalene-1-carboxylate.
What is the SMILES notation for bromo naphthalene-1-carboxylate?
The canonical SMILES for bromo naphthalene-1-carboxylate is O=C(OBr)c1cccc2ccccc12.
What is the InChIKey of bromo naphthalene-1-carboxylate?
The InChIKey is DIIYXHGFBMVGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO2/c12-14-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.
What are the key properties of bromo naphthalene-1-carboxylate?
bromo naphthalene-1-carboxylate has a molecular weight of 251.08 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo naphthalene-1-carboxylate is sourced from PubChem (CID 68796403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).