3-amino-5-(2-fluorophenyl)benzoic acid

C13H10FNO2 — CID 53225005

IUPAC3-amino-5-(2-fluorophenyl)benzoic acid
SMILESNc1cc(C(=O)O)cc(-c2ccccc2F)c1
InChIInChI=1S/C13H10FNO2/c14-12-4-2-1-3-11(12)8-5-9(13(16)17)7-10(15)6-8/h1-7H,15H2,(H,16,17)
InChIKeyBKHNNZAHBVIEKI-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.77
Rot. Bonds2

About 3-amino-5-(2-fluorophenyl)benzoic acid

3-amino-5-(2-fluorophenyl)benzoic acid (PubChem CID 53225005) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 3-amino-5-(2-fluorophenyl)benzoic acid.

Molecular Properties

Compound Name3-amino-5-(2-fluorophenyl)benzoic acid
PubChem CID53225005
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name3-amino-5-(2-fluorophenyl)benzoic acid
SMILESNc1cc(C(=O)O)cc(-c2ccccc2F)c1
InChIInChI=1S/C13H10FNO2/c14-12-4-2-1-3-11(12)8-5-9(13(16)17)7-10(15)6-8/h1-7H,15H2,(H,16,17)
InChIKeyBKHNNZAHBVIEKI-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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Related Compounds

3-amino-5-(2,3-difluorophenyl)benzoic acid
CID 53225919
3-(3-amino-5-carboxyphenyl)-4-fluorobenzoic acid
CID 53227396
3-chloro-5-(2-fluorophenyl)benzoic acid
CID 46314465
3-amino-5-(2-methylsulfanylphenyl)benzoic acid
CID 53226358
3-amino-5-(2-formylphenyl)benzoic acid
CID 53225105
3-fluoro-5-(2-fluorophenyl)aniline
CID 46312188
3-amino-5-(2,3-dichlorophenyl)benzoic acid
CID 53227648
3,5-difluoro-4-(2-fluorophenyl)benzoic acid
CID 170919050
2,6-difluoro-4-(2-fluorophenyl)benzoic acid
CID 46312128
2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313699
3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid
CID 68657268
2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
CID 53227346

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-fluorophenyl)benzoic acid?
The IUPAC name of 3-amino-5-(2-fluorophenyl)benzoic acid (CID 53225005) is 3-amino-5-(2-fluorophenyl)benzoic acid.
What is the SMILES notation for 3-amino-5-(2-fluorophenyl)benzoic acid?
The canonical SMILES for 3-amino-5-(2-fluorophenyl)benzoic acid is Nc1cc(C(=O)O)cc(-c2ccccc2F)c1.
What is the InChIKey of 3-amino-5-(2-fluorophenyl)benzoic acid?
The InChIKey is BKHNNZAHBVIEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-12-4-2-1-3-11(12)8-5-9(13(16)17)7-10(15)6-8/h1-7H,15H2,(H,16,17).
What are the key properties of 3-amino-5-(2-fluorophenyl)benzoic acid?
3-amino-5-(2-fluorophenyl)benzoic 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 3-amino-5-(2-fluorophenyl)benzoic acid is sourced from PubChem (CID 53225005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).