3-aminonaphthalene-2-carboxylic acid;2-aminophenol

C17H16N2O3 — CID 70253248

IUPAC3-aminonaphthalene-2-carboxylic acid;2-aminophenol
SMILESNc1cc2ccccc2cc1C(=O)O.Nc1ccccc1O
InChIInChI=1S/C11H9NO2.C6H7NO/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;7-5-3-1-2-4-6(5)8/h1-6H,12H2,(H,13,14);1-4,8H,7H2
InChIKeyKKZAXISVDXIXCW-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.09
Rot. Bonds1

About 3-aminonaphthalene-2-carboxylic acid;2-aminophenol

3-aminonaphthalene-2-carboxylic acid;2-aminophenol (PubChem CID 70253248) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-aminonaphthalene-2-carboxylic acid;2-aminophenol.

Molecular Properties

Compound Name3-aminonaphthalene-2-carboxylic acid;2-aminophenol
PubChem CID70253248
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-aminonaphthalene-2-carboxylic acid;2-aminophenol
SMILESNc1cc2ccccc2cc1C(=O)O.Nc1ccccc1O
InChIInChI=1S/C11H9NO2.C6H7NO/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;7-5-3-1-2-4-6(5)8/h1-6H,12H2,(H,13,14);1-4,8H,7H2
InChIKeyKKZAXISVDXIXCW-UHFFFAOYSA-N
XLogP3.09
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-aminobenzoic acid;2-aminophenol
CID 23062986
CID 69256301
CID 69256301
1-(3-aminonaphthalen-2-yl)-2-phenylethanone
CID 116560313
4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid
CID 70359334
3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid
CID 54032233
sodium 2-aminophenol
CID 18764426
2-aminophenol;azane
CID 159865141
3-amino-2-naphthalen-2-ylsulfanylbenzoic acid
CID 115935940
3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 14678741
(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone
CID 116560369
bis(2-aminobenzoic acid);nickel
CID 73156847
2-aminobenzoic acid;hydrate
CID 70144361

Frequently Asked Questions

What is the IUPAC name of 3-aminonaphthalene-2-carboxylic acid;2-aminophenol?
The IUPAC name of 3-aminonaphthalene-2-carboxylic acid;2-aminophenol (CID 70253248) is 3-aminonaphthalene-2-carboxylic acid;2-aminophenol.
What is the SMILES notation for 3-aminonaphthalene-2-carboxylic acid;2-aminophenol?
The canonical SMILES for 3-aminonaphthalene-2-carboxylic acid;2-aminophenol is Nc1cc2ccccc2cc1C(=O)O.Nc1ccccc1O.
What is the InChIKey of 3-aminonaphthalene-2-carboxylic acid;2-aminophenol?
The InChIKey is KKZAXISVDXIXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2.C6H7NO/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;7-5-3-1-2-4-6(5)8/h1-6H,12H2,(H,13,14);1-4,8H,7H2.
What are the key properties of 3-aminonaphthalene-2-carboxylic acid;2-aminophenol?
3-aminonaphthalene-2-carboxylic acid;2-aminophenol has a molecular weight of 296.33 g/mol, XLogP of 3.09, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminonaphthalene-2-carboxylic acid;2-aminophenol is sourced from PubChem (CID 70253248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).