2-amino-4-fluoro-5-methoxybenzoic acid

C8H8FNO3 — CID 23366717

IUPAC2-amino-4-fluoro-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)c(N)cc1F
InChIInChI=1S/C8H8FNO3/c1-13-7-2-4(8(11)12)6(10)3-5(7)9/h2-3H,10H2,1H3,(H,11,12)
InChIKeyIRDKEEYUZLEIGW-UHFFFAOYSA-N
MW185.15 g/mol
LogP1.11
Rot. Bonds2

About 2-amino-4-fluoro-5-methoxybenzoic acid

2-amino-4-fluoro-5-methoxybenzoic acid (PubChem CID 23366717) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is 2-amino-4-fluoro-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-amino-4-fluoro-5-methoxybenzoic acid
PubChem CID23366717
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name2-amino-4-fluoro-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)c(N)cc1F
InChIInChI=1S/C8H8FNO3/c1-13-7-2-4(8(11)12)6(10)3-5(7)9/h2-3H,10H2,1H3,(H,11,12)
InChIKeyIRDKEEYUZLEIGW-UHFFFAOYSA-N
XLogP1.11
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-5-methoxybenzoic acid?
The IUPAC name of 2-amino-4-fluoro-5-methoxybenzoic acid (CID 23366717) is 2-amino-4-fluoro-5-methoxybenzoic acid.
What is the SMILES notation for 2-amino-4-fluoro-5-methoxybenzoic acid?
The canonical SMILES for 2-amino-4-fluoro-5-methoxybenzoic acid is COc1cc(C(=O)O)c(N)cc1F.
What is the InChIKey of 2-amino-4-fluoro-5-methoxybenzoic acid?
The InChIKey is IRDKEEYUZLEIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-13-7-2-4(8(11)12)6(10)3-5(7)9/h2-3H,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-4-fluoro-5-methoxybenzoic acid?
2-amino-4-fluoro-5-methoxybenzoic acid has a molecular weight of 185.15 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-5-methoxybenzoic acid is sourced from PubChem (CID 23366717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).