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

C10H12FNO3 — CID 102741920

IUPACmethyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate
SMILESCOC(=O)c1c(N)c(C)cc(OC)c1F
InChIInChI=1S/C10H12FNO3/c1-5-4-6(14-2)8(11)7(9(5)12)10(13)15-3/h4H,12H2,1-3H3
InChIKeyPVPTVBCSRUITMU-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.51
Rot. Bonds2

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

methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate (PubChem CID 102741920) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate
PubChem CID102741920
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Namemethyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate
SMILESCOC(=O)c1c(N)c(C)cc(OC)c1F
InChIInChI=1S/C10H12FNO3/c1-5-4-6(14-2)8(11)7(9(5)12)10(13)15-3/h4H,12H2,1-3H3
InChIKeyPVPTVBCSRUITMU-UHFFFAOYSA-N
XLogP1.51
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate?
The IUPAC name of methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate (CID 102741920) is methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate.
What is the SMILES notation for methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate?
The canonical SMILES for methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate is COC(=O)c1c(N)c(C)cc(OC)c1F.
What is the InChIKey of methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate?
The InChIKey is PVPTVBCSRUITMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-5-4-6(14-2)8(11)7(9(5)12)10(13)15-3/h4H,12H2,1-3H3.
What are the key properties of methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate?
methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate has a molecular weight of 213.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate is sourced from PubChem (CID 102741920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).