4-amino-2-hydroxybenzoic acid;dihydrochloride

C7H9Cl2NO3 — CID 140557780

IUPAC4-amino-2-hydroxybenzoic acid;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C7H7NO3.2ClH/c8-4-1-2-5(7(10)11)6(9)3-4;;/h1-3,9H,8H2,(H,10,11);2*1H
InChIKeyBVONOZGOLGMSFJ-UHFFFAOYSA-N
MW226.06 g/mol
LogP1.52
Rot. Bonds1

About 4-amino-2-hydroxybenzoic acid;dihydrochloride

4-amino-2-hydroxybenzoic acid;dihydrochloride (PubChem CID 140557780) has the molecular formula C7H9Cl2NO3 and a molecular weight of 226.06 g/mol. Its IUPAC name is 4-amino-2-hydroxybenzoic acid;dihydrochloride.

Molecular Properties

Compound Name4-amino-2-hydroxybenzoic acid;dihydrochloride
PubChem CID140557780
Molecular FormulaC7H9Cl2NO3
Molecular Weight226.06 g/mol
Exact Mass225.00
IUPAC Name4-amino-2-hydroxybenzoic acid;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C7H7NO3.2ClH/c8-4-1-2-5(7(10)11)6(9)3-4;;/h1-3,9H,8H2,(H,10,11);2*1H
InChIKeyBVONOZGOLGMSFJ-UHFFFAOYSA-N
XLogP1.52
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 51.52
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

lithium;4-amino-2-hydroxybenzoic acid;hydride
CID 173041117
4-amino-2-hydroxybenzoic acid;carbamic acid
CID 67980024
CID 131855870
CID 131855870
sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium
CID 54604130
bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine
CID 139146382
4-amino-2-hydroxybenzoic acid;oxolane
CID 174957133
4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid
CID 57080181
4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid
CID 54364627
4-(3-aminophenyl)-2-hydroxybenzoic acid
CID 53224908
4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985
5-amino-2-hydroxybenzoic acid;methanol
CID 143451983
dipotassium;5-amino-2-hydroxybenzoic acid;hydride
CID 173393378

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-hydroxybenzoic acid;dihydrochloride?
The IUPAC name of 4-amino-2-hydroxybenzoic acid;dihydrochloride (CID 140557780) is 4-amino-2-hydroxybenzoic acid;dihydrochloride.
What is the SMILES notation for 4-amino-2-hydroxybenzoic acid;dihydrochloride?
The canonical SMILES for 4-amino-2-hydroxybenzoic acid;dihydrochloride is Cl.Cl.Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-amino-2-hydroxybenzoic acid;dihydrochloride?
The InChIKey is BVONOZGOLGMSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.2ClH/c8-4-1-2-5(7(10)11)6(9)3-4;;/h1-3,9H,8H2,(H,10,11);2*1H.
What are the key properties of 4-amino-2-hydroxybenzoic acid;dihydrochloride?
4-amino-2-hydroxybenzoic acid;dihydrochloride has a molecular weight of 226.06 g/mol, XLogP of 1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-hydroxybenzoic acid;dihydrochloride is sourced from PubChem (CID 140557780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).