ethyl 2-amino-3-fluoro-4-methoxybenzoate

C10H12FNO3 — CID 54595933

IUPACethyl 2-amino-3-fluoro-4-methoxybenzoate
SMILESCCOC(=O)c1ccc(OC)c(F)c1N
InChIInChI=1S/C10H12FNO3/c1-3-15-10(13)6-4-5-7(14-2)8(11)9(6)12/h4-5H,3,12H2,1-2H3
InChIKeyIITDUNMKFVDBHC-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.59
Rot. Bonds3

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

ethyl 2-amino-3-fluoro-4-methoxybenzoate (PubChem CID 54595933) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is ethyl 2-amino-3-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Nameethyl 2-amino-3-fluoro-4-methoxybenzoate
PubChem CID54595933
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Nameethyl 2-amino-3-fluoro-4-methoxybenzoate
SMILESCCOC(=O)c1ccc(OC)c(F)c1N
InChIInChI=1S/C10H12FNO3/c1-3-15-10(13)6-4-5-7(14-2)8(11)9(6)12/h4-5H,3,12H2,1-2H3
InChIKeyIITDUNMKFVDBHC-UHFFFAOYSA-N
XLogP1.59
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.59
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

ethyl 3-amino-2-chloro-4-methoxybenzoate
CID 166071385
ethane;ethyl 3-fluoro-4,5-dimethoxy-2-methylbenzoate
CID 178095802
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 4-amino-3-fluoro-2-methylbenzoate
CID 131583478
ethyl 2-chloro-4-methoxy-3-methylbenzoate
CID 164892224
methyl 3-amino-2-fluoro-4-methoxybenzoate
CID 84668671
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
ethyl 2,3-difluoro-4-propan-2-yloxybenzoate
CID 163198291
ethyl 2-amino-4-(difluoromethoxy)-3-hydroxybenzoate
CID 129074023
ethyl 2-amino-3-methoxy-5-methylbenzoate
CID 54595934
ethyl 2-fluoro-5-iodo-3-methoxybenzoate
CID 164891233

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-fluoro-4-methoxybenzoate?
The IUPAC name of ethyl 2-amino-3-fluoro-4-methoxybenzoate (CID 54595933) is ethyl 2-amino-3-fluoro-4-methoxybenzoate.
What is the SMILES notation for ethyl 2-amino-3-fluoro-4-methoxybenzoate?
The canonical SMILES for ethyl 2-amino-3-fluoro-4-methoxybenzoate is CCOC(=O)c1ccc(OC)c(F)c1N.
What is the InChIKey of ethyl 2-amino-3-fluoro-4-methoxybenzoate?
The InChIKey is IITDUNMKFVDBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-3-15-10(13)6-4-5-7(14-2)8(11)9(6)12/h4-5H,3,12H2,1-2H3.
What are the key properties of ethyl 2-amino-3-fluoro-4-methoxybenzoate?
ethyl 2-amino-3-fluoro-4-methoxybenzoate has a molecular weight of 213.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-fluoro-4-methoxybenzoate is sourced from PubChem (CID 54595933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).