2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride

C11H13BrClNO2 — CID 68588929

IUPAC2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C11H12BrNO2.ClH/c12-9-2-1-8-6-11(13,10(14)15)4-3-7(8)5-9;/h1-2,5H,3-4,6,13H2,(H,14,15);1H
InChIKeyPRFXJDFWAMKKLB-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.14
Rot. Bonds1

About 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride

2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride (PubChem CID 68588929) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
PubChem CID68588929
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C11H12BrNO2.ClH/c12-9-2-1-8-6-11(13,10(14)15)4-3-7(8)5-9;/h1-2,5H,3-4,6,13H2,(H,14,15);1H
InChIKeyPRFXJDFWAMKKLB-UHFFFAOYSA-N
XLogP2.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride?
The IUPAC name of 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride (CID 68588929) is 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride is Cl.NC1(C(=O)O)CCc2cc(Br)ccc2C1.
What is the InChIKey of 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride?
The InChIKey is PRFXJDFWAMKKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2.ClH/c12-9-2-1-8-6-11(13,10(14)15)4-3-7(8)5-9;/h1-2,5H,3-4,6,13H2,(H,14,15);1H.
What are the key properties of 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride?
2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride has a molecular weight of 306.59 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 68588929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).