2-amino-6-fluorobenzoic acid

C7H6FNO2 — CID 521142

IUPAC2-amino-6-fluorobenzoic acid
SMILESNc1cccc(F)c1C(=O)O
InChIInChI=1S/C7H6FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKeyRWSFZKWMVWPDGZ-UHFFFAOYSA-N
MW155.13 g/mol
LogP1.11
Rot. Bonds1

About 2-amino-6-fluorobenzoic acid

2-amino-6-fluorobenzoic acid (PubChem CID 521142) has the molecular formula C7H6FNO2 and a molecular weight of 155.13 g/mol. Its IUPAC name is 2-amino-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-amino-6-fluorobenzoic acid
PubChem CID521142
Molecular FormulaC7H6FNO2
Molecular Weight155.13 g/mol
Exact Mass155.04
IUPAC Name2-amino-6-fluorobenzoic acid
SMILESNc1cccc(F)c1C(=O)O
InChIInChI=1S/C7H6FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKeyRWSFZKWMVWPDGZ-UHFFFAOYSA-N
XLogP1.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Anthranilic Acid
CID 227
4-Aminobenzoic Acid
CID 978
Methyl Anthranilate
CID 8635
N-Phenylanthranilic Acid
CID 4386
Ethyl 2-aminobenzoate
CID 6877
Butyl anthranilate
CID 24433
N-acetylanthranilic acid
CID 6971
3-Aminobenzoic Acid
CID 7419
Allyl anthranilate
CID 24116
2-Amino-5-bromobenzoic acid
CID 79858
3,3'-Dicarboxybenzidine
CID 16475
2-Nitrobenzoic acid
CID 11087

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluorobenzoic acid?
The IUPAC name of 2-amino-6-fluorobenzoic acid (CID 521142) is 2-amino-6-fluorobenzoic acid.
What is the SMILES notation for 2-amino-6-fluorobenzoic acid?
The canonical SMILES for 2-amino-6-fluorobenzoic acid is Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-amino-6-fluorobenzoic acid?
The InChIKey is RWSFZKWMVWPDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11).
What are the key properties of 2-amino-6-fluorobenzoic acid?
2-amino-6-fluorobenzoic acid has a molecular weight of 155.13 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluorobenzoic acid is sourced from PubChem (CID 521142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).