2-amino-3-hydroxybenzoic acid;1H-indol-7-ol

C15H14N2O4 — CID 67779997

IUPAC2-amino-3-hydroxybenzoic acid;1H-indol-7-ol
SMILESNc1c(O)cccc1C(=O)O.Oc1cccc2cc[nH]c12
InChIInChI=1S/C8H7NO.C7H7NO3/c10-7-3-1-2-6-4-5-9-8(6)7;8-6-4(7(10)11)2-1-3-5(6)9/h1-5,9-10H;1-3,9H,8H2,(H,10,11)
InChIKeyVAJYUJYZPHXJPG-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.55
Rot. Bonds1

About 2-amino-3-hydroxybenzoic acid;1H-indol-7-ol

2-amino-3-hydroxybenzoic acid;1H-indol-7-ol (PubChem CID 67779997) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-amino-3-hydroxybenzoic acid;1H-indol-7-ol.

Molecular Properties

Compound Name2-amino-3-hydroxybenzoic acid;1H-indol-7-ol
PubChem CID67779997
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-amino-3-hydroxybenzoic acid;1H-indol-7-ol
SMILESNc1c(O)cccc1C(=O)O.Oc1cccc2cc[nH]c12
InChIInChI=1S/C8H7NO.C7H7NO3/c10-7-3-1-2-6-4-5-9-8(6)7;8-6-4(7(10)11)2-1-3-5(6)9/h1-5,9-10H;1-3,9H,8H2,(H,10,11)
InChIKeyVAJYUJYZPHXJPG-UHFFFAOYSA-N
XLogP2.55
TPSA119.57 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.55
H-Bond Donors ≤ 55
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybenzoic acid;1H-indol-7-ol?
The IUPAC name of 2-amino-3-hydroxybenzoic acid;1H-indol-7-ol (CID 67779997) is 2-amino-3-hydroxybenzoic acid;1H-indol-7-ol.
What is the SMILES notation for 2-amino-3-hydroxybenzoic acid;1H-indol-7-ol?
The canonical SMILES for 2-amino-3-hydroxybenzoic acid;1H-indol-7-ol is Nc1c(O)cccc1C(=O)O.Oc1cccc2cc[nH]c12.
What is the InChIKey of 2-amino-3-hydroxybenzoic acid;1H-indol-7-ol?
The InChIKey is VAJYUJYZPHXJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C7H7NO3/c10-7-3-1-2-6-4-5-9-8(6)7;8-6-4(7(10)11)2-1-3-5(6)9/h1-5,9-10H;1-3,9H,8H2,(H,10,11).
What are the key properties of 2-amino-3-hydroxybenzoic acid;1H-indol-7-ol?
2-amino-3-hydroxybenzoic acid;1H-indol-7-ol has a molecular weight of 286.29 g/mol, XLogP of 2.55, 1 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybenzoic acid;1H-indol-7-ol is sourced from PubChem (CID 67779997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).