2-amino-5-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C11H12BrNO2 — CID 22145258

IUPAC2-amino-5-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESNC1(C(=O)O)CCc2c(Br)cccc2C1
InChIInChI=1S/C11H12BrNO2/c12-9-3-1-2-7-6-11(13,10(14)15)5-4-8(7)9/h1-3H,4-6,13H2,(H,14,15)
InChIKeyVZKGHJWZNXLHGL-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.72
Rot. Bonds1

About 2-amino-5-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-amino-5-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 22145258) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-amino-5-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID22145258
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-amino-5-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESNC1(C(=O)O)CCc2c(Br)cccc2C1
InChIInChI=1S/C11H12BrNO2/c12-9-3-1-2-7-6-11(13,10(14)15)5-4-8(7)9/h1-3H,4-6,13H2,(H,14,15)
InChIKeyVZKGHJWZNXLHGL-UHFFFAOYSA-N
XLogP1.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-amino-5-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 22145258) is 2-amino-5-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-amino-5-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-amino-5-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid is NC1(C(=O)O)CCc2c(Br)cccc2C1.
What is the InChIKey of 2-amino-5-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is VZKGHJWZNXLHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-9-3-1-2-7-6-11(13,10(14)15)5-4-8(7)9/h1-3H,4-6,13H2,(H,14,15).
What are the key properties of 2-amino-5-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-amino-5-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 270.13 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 22145258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).