2-amino-6-hydroxybenzoic acid;hydrochloride

C7H8ClNO3 — CID 13409834

IUPAC2-amino-6-hydroxybenzoic acid;hydrochloride
SMILESCl.Nc1cccc(O)c1C(=O)O
InChIInChI=1S/C7H7NO3.ClH/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3,9H,8H2,(H,10,11);1H
InChIKeyDGCYGOCSZPAMTE-UHFFFAOYSA-N
MW189.60 g/mol
LogP1.09
Rot. Bonds1

About 2-amino-6-hydroxybenzoic acid;hydrochloride

2-amino-6-hydroxybenzoic acid;hydrochloride (PubChem CID 13409834) has the molecular formula C7H8ClNO3 and a molecular weight of 189.60 g/mol. Its IUPAC name is 2-amino-6-hydroxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-6-hydroxybenzoic acid;hydrochloride
PubChem CID13409834
Molecular FormulaC7H8ClNO3
Molecular Weight189.60 g/mol
Exact Mass189.02
IUPAC Name2-amino-6-hydroxybenzoic acid;hydrochloride
SMILESCl.Nc1cccc(O)c1C(=O)O
InChIInChI=1S/C7H7NO3.ClH/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3,9H,8H2,(H,10,11);1H
InChIKeyDGCYGOCSZPAMTE-UHFFFAOYSA-N
XLogP1.09
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-hydroxybenzoic acid;hydrochloride?
The IUPAC name of 2-amino-6-hydroxybenzoic acid;hydrochloride (CID 13409834) is 2-amino-6-hydroxybenzoic acid;hydrochloride.
What is the SMILES notation for 2-amino-6-hydroxybenzoic acid;hydrochloride?
The canonical SMILES for 2-amino-6-hydroxybenzoic acid;hydrochloride is Cl.Nc1cccc(O)c1C(=O)O.
What is the InChIKey of 2-amino-6-hydroxybenzoic acid;hydrochloride?
The InChIKey is DGCYGOCSZPAMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.ClH/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3,9H,8H2,(H,10,11);1H.
What are the key properties of 2-amino-6-hydroxybenzoic acid;hydrochloride?
2-amino-6-hydroxybenzoic acid;hydrochloride has a molecular weight of 189.60 g/mol, XLogP of 1.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-hydroxybenzoic acid;hydrochloride is sourced from PubChem (CID 13409834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).