methyl 6-amino-2-fluoro-3-hydroxybenzoate

C8H8FNO3 — CID 84769545

IUPACmethyl 6-amino-2-fluoro-3-hydroxybenzoate
SMILESCOC(=O)c1c(N)ccc(O)c1F
InChIInChI=1S/C8H8FNO3/c1-13-8(12)6-4(10)2-3-5(11)7(6)9/h2-3,11H,10H2,1H3
InChIKeyCEQXYNZJRFBKEI-UHFFFAOYSA-N
MW185.15 g/mol
LogP0.90
Rot. Bonds1

About methyl 6-amino-2-fluoro-3-hydroxybenzoate

methyl 6-amino-2-fluoro-3-hydroxybenzoate (PubChem CID 84769545) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is methyl 6-amino-2-fluoro-3-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 6-amino-2-fluoro-3-hydroxybenzoate
PubChem CID84769545
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Namemethyl 6-amino-2-fluoro-3-hydroxybenzoate
SMILESCOC(=O)c1c(N)ccc(O)c1F
InChIInChI=1S/C8H8FNO3/c1-13-8(12)6-4(10)2-3-5(11)7(6)9/h2-3,11H,10H2,1H3
InChIKeyCEQXYNZJRFBKEI-UHFFFAOYSA-N
XLogP0.90
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 6-amino-2-fluoro-3-hydroxybenzoate 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

methyl 3-amino-2-fluoro-6-methylbenzoate
CID 84768925
methyl 2,3-diamino-6-fluorobenzoate
CID 22464954
methyl 6-amino-2-(2,2-difluoroethoxy)-3-methylbenzoate
CID 62879964
methyl 2,4-diamino-3-fluorobenzoate
CID 171030777
methyl 6-fluoro-3-hydroxy-2-methylbenzoate
CID 131370787
methyl 6-amino-3-chloro-2,4-difluorobenzoate
CID 139378115
ethane;methyl 5-amino-3-chloro-2-fluoro-6-hydroxybenzoate
CID 171788019
methyl 6-amino-2-methyl-3-sulfanylbenzoate
CID 174304946
methyl 3-amino-2,6-difluoro-5-methylbenzoate
CID 84669845
methyl 6-amino-2,3-dichlorobenzoate;hydrochloride
CID 70564288
dimethyl 4-amino-3,5,6-trifluorobenzene-1,2-dicarboxylate
CID 12045796
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-fluoro-3-hydroxybenzoate?
The IUPAC name of methyl 6-amino-2-fluoro-3-hydroxybenzoate (CID 84769545) is methyl 6-amino-2-fluoro-3-hydroxybenzoate.
What is the SMILES notation for methyl 6-amino-2-fluoro-3-hydroxybenzoate?
The canonical SMILES for methyl 6-amino-2-fluoro-3-hydroxybenzoate is COC(=O)c1c(N)ccc(O)c1F.
What is the InChIKey of methyl 6-amino-2-fluoro-3-hydroxybenzoate?
The InChIKey is CEQXYNZJRFBKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-13-8(12)6-4(10)2-3-5(11)7(6)9/h2-3,11H,10H2,1H3.
What are the key properties of methyl 6-amino-2-fluoro-3-hydroxybenzoate?
methyl 6-amino-2-fluoro-3-hydroxybenzoate has a molecular weight of 185.15 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-fluoro-3-hydroxybenzoate is sourced from PubChem (CID 84769545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).