2-amino-6-methoxybenzoic acid;hydrochloride

C8H10ClNO3 — CID 46735179

IUPAC2-amino-6-methoxybenzoic acid;hydrochloride
SMILESCOc1cccc(N)c1C(=O)O.Cl
InChIInChI=1S/C8H9NO3.ClH/c1-12-6-4-2-3-5(9)7(6)8(10)11;/h2-4H,9H2,1H3,(H,10,11);1H
InChIKeyWICPKSMYNWTDBN-UHFFFAOYSA-N
MW203.62 g/mol
LogP1.40
Rot. Bonds2

About 2-amino-6-methoxybenzoic acid;hydrochloride

2-amino-6-methoxybenzoic acid;hydrochloride (PubChem CID 46735179) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 2-amino-6-methoxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-6-methoxybenzoic acid;hydrochloride
PubChem CID46735179
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name2-amino-6-methoxybenzoic acid;hydrochloride
SMILESCOc1cccc(N)c1C(=O)O.Cl
InChIInChI=1S/C8H9NO3.ClH/c1-12-6-4-2-3-5(9)7(6)8(10)11;/h2-4H,9H2,1H3,(H,10,11);1H
InChIKeyWICPKSMYNWTDBN-UHFFFAOYSA-N
XLogP1.40
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(dichloromethoxy)benzoic acid
CID 19612025
2-amino-6-(trifluoromethoxy)benzoic acid
CID 11096155
2-amino-6-(2-methylsulfanylethoxy)benzoic acid
CID 107341426
6-amino-2-hydroxy-3-methoxybenzoic acid
CID 84768914
2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443
3-(2-amino-6-methoxybenzoyl)oxypropanoic acid
CID 81414041
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
2-amino-6-(4-methoxybutan-2-yloxy)benzoic acid
CID 107341428
(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate
CID 81414867
2-hydroxyethyl 2-amino-6-methoxybenzoate
CID 81413891
2-amino-6-(oxan-4-yloxy)benzoic acid
CID 107341552
2-methoxyaniline;dihydrochloride
CID 69020746

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxybenzoic acid;hydrochloride?
The IUPAC name of 2-amino-6-methoxybenzoic acid;hydrochloride (CID 46735179) is 2-amino-6-methoxybenzoic acid;hydrochloride.
What is the SMILES notation for 2-amino-6-methoxybenzoic acid;hydrochloride?
The canonical SMILES for 2-amino-6-methoxybenzoic acid;hydrochloride is COc1cccc(N)c1C(=O)O.Cl.
What is the InChIKey of 2-amino-6-methoxybenzoic acid;hydrochloride?
The InChIKey is WICPKSMYNWTDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.ClH/c1-12-6-4-2-3-5(9)7(6)8(10)11;/h2-4H,9H2,1H3,(H,10,11);1H.
What are the key properties of 2-amino-6-methoxybenzoic acid;hydrochloride?
2-amino-6-methoxybenzoic acid;hydrochloride has a molecular weight of 203.62 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxybenzoic acid;hydrochloride is sourced from PubChem (CID 46735179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).