6-(3-amino-5-fluorophenyl)pyridine-3-carboxylic acid

C12H9FN2O2 — CID 71562086

IUPAC6-(3-amino-5-fluorophenyl)pyridine-3-carboxylic acid
SMILESNc1cc(F)cc(-c2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C12H9FN2O2/c13-9-3-8(4-10(14)5-9)11-2-1-7(6-15-11)12(16)17/h1-6H,14H2,(H,16,17)
InChIKeyCYTANLFOIMWQEE-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.17
Rot. Bonds2

About 6-(3-amino-5-fluorophenyl)pyridine-3-carboxylic acid

6-(3-amino-5-fluorophenyl)pyridine-3-carboxylic acid (PubChem CID 71562086) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 6-(3-amino-5-fluorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-amino-5-fluorophenyl)pyridine-3-carboxylic acid
PubChem CID71562086
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name6-(3-amino-5-fluorophenyl)pyridine-3-carboxylic acid
SMILESNc1cc(F)cc(-c2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C12H9FN2O2/c13-9-3-8(4-10(14)5-9)11-2-1-7(6-15-11)12(16)17/h1-6H,14H2,(H,16,17)
InChIKeyCYTANLFOIMWQEE-UHFFFAOYSA-N
XLogP2.17
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.17
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 6-(3-amino-5-fluorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-amino-5-fluorophenyl)pyridine-3-carboxylic acid (CID 71562086) is 6-(3-amino-5-fluorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-amino-5-fluorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-amino-5-fluorophenyl)pyridine-3-carboxylic acid is Nc1cc(F)cc(-c2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-(3-amino-5-fluorophenyl)pyridine-3-carboxylic acid?
The InChIKey is CYTANLFOIMWQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-9-3-8(4-10(14)5-9)11-2-1-7(6-15-11)12(16)17/h1-6H,14H2,(H,16,17).
What are the key properties of 6-(3-amino-5-fluorophenyl)pyridine-3-carboxylic acid?
6-(3-amino-5-fluorophenyl)pyridine-3-carboxylic acid has a molecular weight of 232.21 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-5-fluorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 71562086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).