methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate

C10H12FNO4 — CID 71715743

IUPACmethyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate
SMILESCOC(=O)c1c(N)c(OC)c(C)c(O)c1F
InChIInChI=1S/C10H12FNO4/c1-4-8(13)6(11)5(10(14)16-3)7(12)9(4)15-2/h13H,12H2,1-3H3
InChIKeyIUJNNFUBZTVXOX-UHFFFAOYSA-N
MW229.21 g/mol
LogP1.22
Rot. Bonds2

About methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate

methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate (PubChem CID 71715743) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate
PubChem CID71715743
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Namemethyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate
SMILESCOC(=O)c1c(N)c(OC)c(C)c(O)c1F
InChIInChI=1S/C10H12FNO4/c1-4-8(13)6(11)5(10(14)16-3)7(12)9(4)15-2/h13H,12H2,1-3H3
InChIKeyIUJNNFUBZTVXOX-UHFFFAOYSA-N
XLogP1.22
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate
CID 84689679
methyl 2,3,6-trifluoro-4-hydroxy-5-methoxybenzoate
CID 174654457
methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate
CID 84691006
methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate
CID 102741920
dimethyl 4-amino-3,5,6-trifluorobenzene-1,2-dicarboxylate
CID 12045796
methyl 3-fluoro-2-(isocyanomethyl)-4,5-dimethoxy-6-methylbenzoate
CID 177299570
1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone
CID 175220601
methyl 4-amino-3-methoxy-2,5-dimethylbenzoate
CID 84780550
methyl 3-amino-4-hydroxy-2-methoxy-5-methylbenzoate
CID 84734505
ethane;methyl 5-amino-3-chloro-2-fluoro-6-hydroxybenzoate
CID 171788019
methyl 6-amino-2-fluoro-3-hydroxybenzoate
CID 84769545
methyl 3-amino-2,6-difluoro-5-methylbenzoate
CID 84669845

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate?
The IUPAC name of methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate (CID 71715743) is methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate.
What is the SMILES notation for methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate?
The canonical SMILES for methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate is COC(=O)c1c(N)c(OC)c(C)c(O)c1F.
What is the InChIKey of methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate?
The InChIKey is IUJNNFUBZTVXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c1-4-8(13)6(11)5(10(14)16-3)7(12)9(4)15-2/h13H,12H2,1-3H3.
What are the key properties of methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate?
methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate has a molecular weight of 229.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate is sourced from PubChem (CID 71715743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).