methyl 3-amino-2-fluoro-4-methoxybenzoate

C9H10FNO3 — CID 84668671

IUPACmethyl 3-amino-2-fluoro-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(N)c1F
InChIInChI=1S/C9H10FNO3/c1-13-6-4-3-5(9(12)14-2)7(10)8(6)11/h3-4H,11H2,1-2H3
InChIKeyBVYHXMZZSTZITD-UHFFFAOYSA-N
MW199.18 g/mol
LogP1.20
Rot. Bonds2

About methyl 3-amino-2-fluoro-4-methoxybenzoate

methyl 3-amino-2-fluoro-4-methoxybenzoate (PubChem CID 84668671) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is methyl 3-amino-2-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-amino-2-fluoro-4-methoxybenzoate
PubChem CID84668671
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Namemethyl 3-amino-2-fluoro-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(N)c1F
InChIInChI=1S/C9H10FNO3/c1-13-6-4-3-5(9(12)14-2)7(10)8(6)11/h3-4H,11H2,1-2H3
InChIKeyBVYHXMZZSTZITD-UHFFFAOYSA-N
XLogP1.20
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-cyano-2-fluoro-4-methoxybenzoate
CID 134647147
methyl 2,4-diamino-3-fluorobenzoate
CID 171030777
methyl 2-amino-3,4-difluorobenzoate
CID 22621156
methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate
CID 163198181
methyl 2-amino-3-fluoro-4-methylbenzoate;hydrochloride
CID 135309344
methyl 2-amino-4-bromo-3-fluorobenzoate
CID 118513566
ethyl 2-amino-3-fluoro-4-methoxybenzoate
CID 54595933
2-fluoro-6-methoxy-3-methylaniline
CID 84763578
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090
methyl 2-amino-6-bromo-3-methoxybenzoate
CID 61070417
methyl 2,5-difluoro-3-methoxybenzoate
CID 130786948
dimethyl 2-iodo-4-methoxybenzene-1,3-dicarboxylate
CID 121221218

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-fluoro-4-methoxybenzoate?
The IUPAC name of methyl 3-amino-2-fluoro-4-methoxybenzoate (CID 84668671) is methyl 3-amino-2-fluoro-4-methoxybenzoate.
What is the SMILES notation for methyl 3-amino-2-fluoro-4-methoxybenzoate?
The canonical SMILES for methyl 3-amino-2-fluoro-4-methoxybenzoate is COC(=O)c1ccc(OC)c(N)c1F.
What is the InChIKey of methyl 3-amino-2-fluoro-4-methoxybenzoate?
The InChIKey is BVYHXMZZSTZITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-13-6-4-3-5(9(12)14-2)7(10)8(6)11/h3-4H,11H2,1-2H3.
What are the key properties of methyl 3-amino-2-fluoro-4-methoxybenzoate?
methyl 3-amino-2-fluoro-4-methoxybenzoate has a molecular weight of 199.18 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-fluoro-4-methoxybenzoate is sourced from PubChem (CID 84668671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).