6-amino-5-(4-fluorophenyl)pyridine-3-carboxylic acid

C12H9FN2O2 — CID 46314192

IUPAC6-amino-5-(4-fluorophenyl)pyridine-3-carboxylic acid
SMILESNc1ncc(C(=O)O)cc1-c1ccc(F)cc1
InChIInChI=1S/C12H9FN2O2/c13-9-3-1-7(2-4-9)10-5-8(12(16)17)6-15-11(10)14/h1-6H,(H2,14,15)(H,16,17)
InChIKeyMAOCFYRVUNMQFT-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.17
Rot. Bonds2

About 6-amino-5-(4-fluorophenyl)pyridine-3-carboxylic acid

6-amino-5-(4-fluorophenyl)pyridine-3-carboxylic acid (PubChem CID 46314192) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 6-amino-5-(4-fluorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-(4-fluorophenyl)pyridine-3-carboxylic acid
PubChem CID46314192
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name6-amino-5-(4-fluorophenyl)pyridine-3-carboxylic acid
SMILESNc1ncc(C(=O)O)cc1-c1ccc(F)cc1
InChIInChI=1S/C12H9FN2O2/c13-9-3-1-7(2-4-9)10-5-8(12(16)17)6-15-11(10)14/h1-6H,(H2,14,15)(H,16,17)
InChIKeyMAOCFYRVUNMQFT-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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(4-fluorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-amino-5-(4-fluorophenyl)pyridine-3-carboxylic acid (CID 46314192) is 6-amino-5-(4-fluorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-5-(4-fluorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-5-(4-fluorophenyl)pyridine-3-carboxylic acid is Nc1ncc(C(=O)O)cc1-c1ccc(F)cc1.
What is the InChIKey of 6-amino-5-(4-fluorophenyl)pyridine-3-carboxylic acid?
The InChIKey is MAOCFYRVUNMQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-9-3-1-7(2-4-9)10-5-8(12(16)17)6-15-11(10)14/h1-6H,(H2,14,15)(H,16,17).
What are the key properties of 6-amino-5-(4-fluorophenyl)pyridine-3-carboxylic acid?
6-amino-5-(4-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-amino-5-(4-fluorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 46314192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).