6-amino-4-fluoro-2,3-dimethoxybenzoic acid

C9H10FNO4 — CID 84783720

IUPAC6-amino-4-fluoro-2,3-dimethoxybenzoic acid
SMILESCOc1c(F)cc(N)c(C(=O)O)c1OC
InChIInChI=1S/C9H10FNO4/c1-14-7-4(10)3-5(11)6(9(12)13)8(7)15-2/h3H,11H2,1-2H3,(H,12,13)
InChIKeyAUHQSYQVVYXTTQ-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.12
Rot. Bonds3

About 6-amino-4-fluoro-2,3-dimethoxybenzoic acid

6-amino-4-fluoro-2,3-dimethoxybenzoic acid (PubChem CID 84783720) has the molecular formula C9H10FNO4 and a molecular weight of 215.18 g/mol. Its IUPAC name is 6-amino-4-fluoro-2,3-dimethoxybenzoic acid.

Molecular Properties

Compound Name6-amino-4-fluoro-2,3-dimethoxybenzoic acid
PubChem CID84783720
Molecular FormulaC9H10FNO4
Molecular Weight215.18 g/mol
Exact Mass215.06
IUPAC Name6-amino-4-fluoro-2,3-dimethoxybenzoic acid
SMILESCOc1c(F)cc(N)c(C(=O)O)c1OC
InChIInChI=1S/C9H10FNO4/c1-14-7-4(10)3-5(11)6(9(12)13)8(7)15-2/h3H,11H2,1-2H3,(H,12,13)
InChIKeyAUHQSYQVVYXTTQ-UHFFFAOYSA-N
XLogP1.12
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2,3,4-trimethoxybenzoic acid
CID 13036392
6-amino-2-hydroxy-3,4-dimethoxybenzoic acid
CID 84782545
6-fluoro-2-methoxy-3-methylbenzoic acid
CID 84659421
2,3,4,5,6-pentamethoxybenzoic acid
CID 623385
6-amino-2,4-difluoro-3-methylsulfanylbenzoic acid
CID 104721925
5-amino-2-fluoro-3,4-dimethoxybenzoic acid
CID 84680796
3-amino-2,5,6-trifluoro-4-methoxybenzoic acid
CID 174567363
4-amino-2,3,6-trifluoro-5-methoxybenzoic acid
CID 174602610
3-bromo-5-fluoro-2,4-dimethoxyaniline
CID 84803833
2-amino-4-ethyl-6-fluorobenzoic acid
CID 146075343
4-chloro-2-fluoro-6-methoxybenzoic acid
CID 53399475
2-amino-4-bromo-6-fluorobenzoic acid
CID 67257607

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-fluoro-2,3-dimethoxybenzoic acid?
The IUPAC name of 6-amino-4-fluoro-2,3-dimethoxybenzoic acid (CID 84783720) is 6-amino-4-fluoro-2,3-dimethoxybenzoic acid.
What is the SMILES notation for 6-amino-4-fluoro-2,3-dimethoxybenzoic acid?
The canonical SMILES for 6-amino-4-fluoro-2,3-dimethoxybenzoic acid is COc1c(F)cc(N)c(C(=O)O)c1OC.
What is the InChIKey of 6-amino-4-fluoro-2,3-dimethoxybenzoic acid?
The InChIKey is AUHQSYQVVYXTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4/c1-14-7-4(10)3-5(11)6(9(12)13)8(7)15-2/h3H,11H2,1-2H3,(H,12,13).
What are the key properties of 6-amino-4-fluoro-2,3-dimethoxybenzoic acid?
6-amino-4-fluoro-2,3-dimethoxybenzoic acid has a molecular weight of 215.18 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-fluoro-2,3-dimethoxybenzoic acid is sourced from PubChem (CID 84783720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).