5-amino-2-fluoro-3,4-dimethoxybenzoic acid

C9H10FNO4 — CID 84680796

IUPAC5-amino-2-fluoro-3,4-dimethoxybenzoic acid
SMILESCOc1c(N)cc(C(=O)O)c(F)c1OC
InChIInChI=1S/C9H10FNO4/c1-14-7-5(11)3-4(9(12)13)6(10)8(7)15-2/h3H,11H2,1-2H3,(H,12,13)
InChIKeyVUCWJWRWMLHFEA-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.12
Rot. Bonds3

About 5-amino-2-fluoro-3,4-dimethoxybenzoic acid

5-amino-2-fluoro-3,4-dimethoxybenzoic acid (PubChem CID 84680796) has the molecular formula C9H10FNO4 and a molecular weight of 215.18 g/mol. Its IUPAC name is 5-amino-2-fluoro-3,4-dimethoxybenzoic acid.

Molecular Properties

Compound Name5-amino-2-fluoro-3,4-dimethoxybenzoic acid
PubChem CID84680796
Molecular FormulaC9H10FNO4
Molecular Weight215.18 g/mol
Exact Mass215.06
IUPAC Name5-amino-2-fluoro-3,4-dimethoxybenzoic acid
SMILESCOc1c(N)cc(C(=O)O)c(F)c1OC
InChIInChI=1S/C9H10FNO4/c1-14-7-5(11)3-4(9(12)13)6(10)8(7)15-2/h3H,11H2,1-2H3,(H,12,13)
InChIKeyVUCWJWRWMLHFEA-UHFFFAOYSA-N
XLogP1.12
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-fluoro-3,4-dimethoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-fluoro-5-hydroxy-4-methoxybenzoic acid
CID 84669828
4-amino-3-chloro-2-fluoro-5-methoxybenzoic acid
CID 155684201
3-amino-4-methoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 84686649
3-amino-2,4,5-trimethoxybenzoic acid
CID 63023847
6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid
CID 84686462
2,4-difluoro-3,5-bis(trideuteriomethoxy)benzoic acid
CID 169438379
5-amino-3-fluoro-2,4-dimethylbenzoic acid
CID 84768923
6-amino-4-fluoro-2,3-dimethoxybenzoic acid
CID 84783720
7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid
CID 84685476
3-amino-2-methoxy-5-nitrobenzoic acid
CID 131861934
3-amino-2-methoxybenzoic acid
CID 19849158
3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84775698

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3,4-dimethoxybenzoic acid?
The IUPAC name of 5-amino-2-fluoro-3,4-dimethoxybenzoic acid (CID 84680796) is 5-amino-2-fluoro-3,4-dimethoxybenzoic acid.
What is the SMILES notation for 5-amino-2-fluoro-3,4-dimethoxybenzoic acid?
The canonical SMILES for 5-amino-2-fluoro-3,4-dimethoxybenzoic acid is COc1c(N)cc(C(=O)O)c(F)c1OC.
What is the InChIKey of 5-amino-2-fluoro-3,4-dimethoxybenzoic acid?
The InChIKey is VUCWJWRWMLHFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4/c1-14-7-5(11)3-4(9(12)13)6(10)8(7)15-2/h3H,11H2,1-2H3,(H,12,13).
What are the key properties of 5-amino-2-fluoro-3,4-dimethoxybenzoic acid?
5-amino-2-fluoro-3,4-dimethoxybenzoic acid has a molecular weight of 215.18 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-3,4-dimethoxybenzoic acid is sourced from PubChem (CID 84680796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).