2-(3-aminophenyl)-6-fluorobenzoic acid

C13H10FNO2 — CID 53224916

IUPAC2-(3-aminophenyl)-6-fluorobenzoic acid
SMILESNc1cccc(-c2cccc(F)c2C(=O)O)c1
InChIInChI=1S/C13H10FNO2/c14-11-6-2-5-10(12(11)13(16)17)8-3-1-4-9(15)7-8/h1-7H,15H2,(H,16,17)
InChIKeyVCRCGVCMRDMYGJ-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.77
Rot. Bonds2

About 2-(3-aminophenyl)-6-fluorobenzoic acid

2-(3-aminophenyl)-6-fluorobenzoic acid (PubChem CID 53224916) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-(3-aminophenyl)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(3-aminophenyl)-6-fluorobenzoic acid
PubChem CID53224916
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name2-(3-aminophenyl)-6-fluorobenzoic acid
SMILESNc1cccc(-c2cccc(F)c2C(=O)O)c1
InChIInChI=1S/C13H10FNO2/c14-11-6-2-5-10(12(11)13(16)17)8-3-1-4-9(15)7-8/h1-7H,15H2,(H,16,17)
InChIKeyVCRCGVCMRDMYGJ-UHFFFAOYSA-N
XLogP2.77
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3-aminophenyl)-6-fluorobenzoic acid?
The IUPAC name of 2-(3-aminophenyl)-6-fluorobenzoic acid (CID 53224916) is 2-(3-aminophenyl)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(3-aminophenyl)-6-fluorobenzoic acid?
The canonical SMILES for 2-(3-aminophenyl)-6-fluorobenzoic acid is Nc1cccc(-c2cccc(F)c2C(=O)O)c1.
What is the InChIKey of 2-(3-aminophenyl)-6-fluorobenzoic acid?
The InChIKey is VCRCGVCMRDMYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-11-6-2-5-10(12(11)13(16)17)8-3-1-4-9(15)7-8/h1-7H,15H2,(H,16,17).
What are the key properties of 2-(3-aminophenyl)-6-fluorobenzoic acid?
2-(3-aminophenyl)-6-fluorobenzoic acid has a molecular weight of 231.23 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-6-fluorobenzoic acid is sourced from PubChem (CID 53224916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).