1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C11H11Br2NO3 — CID 165342667

IUPAC1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESNC1(C(=O)O)CCCc2cc(Br)c(O)c(Br)c21
InChIInChI=1S/C11H11Br2NO3/c12-6-4-5-2-1-3-11(14,10(16)17)7(5)8(13)9(6)15/h4,15H,1-3,14H2,(H,16,17)
InChIKeyXDXIRLCEHLELFF-UHFFFAOYSA-N
MW365.02 g/mol
LogP2.49
Rot. Bonds1

About 1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 165342667) has the molecular formula C11H11Br2NO3 and a molecular weight of 365.02 g/mol. Its IUPAC name is 1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID165342667
Molecular FormulaC11H11Br2NO3
Molecular Weight365.02 g/mol
Exact Mass362.91
IUPAC Name1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESNC1(C(=O)O)CCCc2cc(Br)c(O)c(Br)c21
InChIInChI=1S/C11H11Br2NO3/c12-6-4-5-2-1-3-11(14,10(16)17)7(5)8(13)9(6)15/h4,15H,1-3,14H2,(H,16,17)
InChIKeyXDXIRLCEHLELFF-UHFFFAOYSA-N
XLogP2.49
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.02
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-hydroxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanone
CID 22490884
1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908725
1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83911212
1-amino-5,8-difluoro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 165344766
1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 21491277
1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid;hydrochloride
CID 70632149
2-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-oxoacetic acid
CID 117481511
(1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid
CID 118956982
(1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid
CID 102372506
7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid
CID 83907785
2-(2-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-2-oxoacetic acid
CID 117498093
1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid
CID 117495973

Frequently Asked Questions

What is the IUPAC name of 1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 165342667) is 1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is NC1(C(=O)O)CCCc2cc(Br)c(O)c(Br)c21.
What is the InChIKey of 1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is XDXIRLCEHLELFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO3/c12-6-4-5-2-1-3-11(14,10(16)17)7(5)8(13)9(6)15/h4,15H,1-3,14H2,(H,16,17).
What are the key properties of 1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 365.02 g/mol, XLogP of 2.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6,8-dibromo-7-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 165342667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).