6-aminonaphthalene-2-carboxylic acid

C11H9NO2 — CID 2733954

IUPAC6-aminonaphthalene-2-carboxylic acid
SMILESNc1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C11H9NO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,12H2,(H,13,14)
InChIKeyNZTPZUIIYNYZKT-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.12
Rot. Bonds1

About 6-aminonaphthalene-2-carboxylic acid

6-aminonaphthalene-2-carboxylic acid (PubChem CID 2733954) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 6-aminonaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-aminonaphthalene-2-carboxylic acid
PubChem CID2733954
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name6-aminonaphthalene-2-carboxylic acid
SMILESNc1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C11H9NO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,12H2,(H,13,14)
InChIKeyNZTPZUIIYNYZKT-UHFFFAOYSA-N
XLogP2.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-aminonaphthalene-2-carboxylic acid?
The IUPAC name of 6-aminonaphthalene-2-carboxylic acid (CID 2733954) is 6-aminonaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-aminonaphthalene-2-carboxylic acid?
The canonical SMILES for 6-aminonaphthalene-2-carboxylic acid is Nc1ccc2cc(C(=O)O)ccc2c1.
What is the InChIKey of 6-aminonaphthalene-2-carboxylic acid?
The InChIKey is NZTPZUIIYNYZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,12H2,(H,13,14).
What are the key properties of 6-aminonaphthalene-2-carboxylic acid?
6-aminonaphthalene-2-carboxylic acid has a molecular weight of 187.20 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminonaphthalene-2-carboxylic acid is sourced from PubChem (CID 2733954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).