1-amino-6-hydroxynaphthalene-2-carboxylic acid

C11H9NO3 — CID 115022788

IUPAC1-amino-6-hydroxynaphthalene-2-carboxylic acid
SMILESNc1c(C(=O)O)ccc2cc(O)ccc12
InChIInChI=1S/C11H9NO3/c12-10-8-4-2-7(13)5-6(8)1-3-9(10)11(14)15/h1-5,13H,12H2,(H,14,15)
InChIKeyPKYPQFIQZWGQNW-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.83
Rot. Bonds1

About 1-amino-6-hydroxynaphthalene-2-carboxylic acid

1-amino-6-hydroxynaphthalene-2-carboxylic acid (PubChem CID 115022788) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-amino-6-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-amino-6-hydroxynaphthalene-2-carboxylic acid
PubChem CID115022788
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name1-amino-6-hydroxynaphthalene-2-carboxylic acid
SMILESNc1c(C(=O)O)ccc2cc(O)ccc12
InChIInChI=1S/C11H9NO3/c12-10-8-4-2-7(13)5-6(8)1-3-9(10)11(14)15/h1-5,13H,12H2,(H,14,15)
InChIKeyPKYPQFIQZWGQNW-UHFFFAOYSA-N
XLogP1.83
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-amino-6-methylnaphthalene-2-carboxylic acid
CID 115022209
3,7-dihydroxynaphthalene-1-carboxylic acid
CID 23130130
2,6-dihydroxynaphthalene-1-carboxylic acid
CID 10149075
1-fluoro-7-hydroxynaphthalene-2-carboxylic acid
CID 115024408
3,7-dihydroxynaphthalene-2-carboxylic acid
CID 158168218
4-hydroxyphthalic acid;hydrate
CID 171991193
2,4-dihydroxybenzoic acid
CID 1491
7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid
CID 131034306
5,6-diaminonaphthalene-2-carboxylic acid
CID 23293419
7-hydroxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115023788
actinium;6-hydroxynaphthalene-2-carboxylic acid
CID 59891781
CID 54715072
CID 54715072

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 1-amino-6-hydroxynaphthalene-2-carboxylic acid (CID 115022788) is 1-amino-6-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-amino-6-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 1-amino-6-hydroxynaphthalene-2-carboxylic acid is Nc1c(C(=O)O)ccc2cc(O)ccc12.
What is the InChIKey of 1-amino-6-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is PKYPQFIQZWGQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c12-10-8-4-2-7(13)5-6(8)1-3-9(10)11(14)15/h1-5,13H,12H2,(H,14,15).
What are the key properties of 1-amino-6-hydroxynaphthalene-2-carboxylic acid?
1-amino-6-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 115022788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).