3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid

C14H13NO6 — CID 157279139

IUPAC3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid
SMILESNc1cccc(C(=O)O)c1O.O=C(O)c1ccccc1O
InChIInChI=1S/C7H7NO3.C7H6O3/c8-5-3-1-2-4(6(5)9)7(10)11;8-6-4-2-1-3-5(6)7(9)10/h1-3,9H,8H2,(H,10,11);1-4,8H,(H,9,10)
InChIKeyAZLLJLNPPWTFMK-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.76
Rot. Bonds2

About 3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid

3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid (PubChem CID 157279139) has the molecular formula C14H13NO6 and a molecular weight of 291.26 g/mol. Its IUPAC name is 3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid
PubChem CID157279139
Molecular FormulaC14H13NO6
Molecular Weight291.26 g/mol
Exact Mass291.07
IUPAC Name3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid
SMILESNc1cccc(C(=O)O)c1O.O=C(O)c1ccccc1O
InChIInChI=1S/C7H7NO3.C7H6O3/c8-5-3-1-2-4(6(5)9)7(10)11;8-6-4-2-1-3-5(6)7(9)10/h1-3,9H,8H2,(H,10,11);1-4,8H,(H,9,10)
InChIKeyAZLLJLNPPWTFMK-UHFFFAOYSA-N
XLogP1.76
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,4-diamine;2-hydroxybenzoic acid
CID 162016766
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
2-aminobenzoic acid;2-aminophenol
CID 23062986
sodium;hydrogen carbonate;2-hydroxybenzoic acid
CID 70482826
2-hydroxybenzoic acid;molecular hydrogen
CID 143717517

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid?
The IUPAC name of 3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid (CID 157279139) is 3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid.
What is the SMILES notation for 3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid?
The canonical SMILES for 3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid is Nc1cccc(C(=O)O)c1O.O=C(O)c1ccccc1O.
What is the InChIKey of 3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid?
The InChIKey is AZLLJLNPPWTFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.C7H6O3/c8-5-3-1-2-4(6(5)9)7(10)11;8-6-4-2-1-3-5(6)7(9)10/h1-3,9H,8H2,(H,10,11);1-4,8H,(H,9,10).
What are the key properties of 3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid?
3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid has a molecular weight of 291.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid is sourced from PubChem (CID 157279139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).