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

C9H10FNO2 — CID 84768928

IUPAC4-amino-3-fluoro-2,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)c(C)c(F)c1N
InChIInChI=1S/C9H10FNO2/c1-4-3-6(9(12)13)5(2)7(10)8(4)11/h3H,11H2,1-2H3,(H,12,13)
InChIKeyHRFNHRPCIGTJDV-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.72
Rot. Bonds1

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

4-amino-3-fluoro-2,5-dimethylbenzoic acid (PubChem CID 84768928) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 4-amino-3-fluoro-2,5-dimethylbenzoic acid.

Molecular Properties

Compound Name4-amino-3-fluoro-2,5-dimethylbenzoic acid
PubChem CID84768928
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name4-amino-3-fluoro-2,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)c(C)c(F)c1N
InChIInChI=1S/C9H10FNO2/c1-4-3-6(9(12)13)5(2)7(10)8(4)11/h3H,11H2,1-2H3,(H,12,13)
InChIKeyHRFNHRPCIGTJDV-UHFFFAOYSA-N
XLogP1.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-3-fluoro-2,5-dimethylbenzoic 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-fluoro-2,4,5-trimethylbenzoic acid
CID 21472508
5-amino-3-fluoro-2,4-dimethylbenzoic acid
CID 84768923
2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid
CID 151763144
2-amino-3,4,5-trimethylbenzoic acid
CID 22633906
2-fluoro-3,4-dimethylbenzoic acid
CID 58240541
2,3-difluoro-4-hydroxy-5-methylbenzoic acid
CID 141463270
4-carbamoyl-3-fluoro-2-methylbenzoic acid
CID 165441853
2-amino-3-methyl-5-(trifluoromethyl)benzoic acid
CID 122548214
3,4-dihydroxy-2,5-dimethylbenzoic acid
CID 18992107
1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone
CID 143019246
1-[4-amino-5-[cyclopropylidene(hydroxy)methyl]-3-fluoro-2-methylphenyl]ethanone
CID 143019282
3,4-difluoro-2-methyl-5-nitrobenzoic acid
CID 143382870

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-2,5-dimethylbenzoic acid?
The IUPAC name of 4-amino-3-fluoro-2,5-dimethylbenzoic acid (CID 84768928) is 4-amino-3-fluoro-2,5-dimethylbenzoic acid.
What is the SMILES notation for 4-amino-3-fluoro-2,5-dimethylbenzoic acid?
The canonical SMILES for 4-amino-3-fluoro-2,5-dimethylbenzoic acid is Cc1cc(C(=O)O)c(C)c(F)c1N.
What is the InChIKey of 4-amino-3-fluoro-2,5-dimethylbenzoic acid?
The InChIKey is HRFNHRPCIGTJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-4-3-6(9(12)13)5(2)7(10)8(4)11/h3H,11H2,1-2H3,(H,12,13).
What are the key properties of 4-amino-3-fluoro-2,5-dimethylbenzoic acid?
4-amino-3-fluoro-2,5-dimethylbenzoic acid has a molecular weight of 183.18 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-2,5-dimethylbenzoic acid is sourced from PubChem (CID 84768928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).