3-amino-4-(4-fluorophenyl)pyridine-2-carboxylic acid

C12H9FN2O2 — CID 132590550

IUPAC3-amino-4-(4-fluorophenyl)pyridine-2-carboxylic acid
SMILESNc1c(-c2ccc(F)cc2)ccnc1C(=O)O
InChIInChI=1S/C12H9FN2O2/c13-8-3-1-7(2-4-8)9-5-6-15-11(10(9)14)12(16)17/h1-6H,14H2,(H,16,17)
InChIKeyFRUTWWVYVLLKRI-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.17
Rot. Bonds2

About 3-amino-4-(4-fluorophenyl)pyridine-2-carboxylic acid

3-amino-4-(4-fluorophenyl)pyridine-2-carboxylic acid (PubChem CID 132590550) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 3-amino-4-(4-fluorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-(4-fluorophenyl)pyridine-2-carboxylic acid
PubChem CID132590550
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name3-amino-4-(4-fluorophenyl)pyridine-2-carboxylic acid
SMILESNc1c(-c2ccc(F)cc2)ccnc1C(=O)O
InChIInChI=1S/C12H9FN2O2/c13-8-3-1-7(2-4-8)9-5-6-15-11(10(9)14)12(16)17/h1-6H,14H2,(H,16,17)
InChIKeyFRUTWWVYVLLKRI-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 3-amino-4-(4-fluorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-4-(4-fluorophenyl)pyridine-2-carboxylic acid (CID 132590550) is 3-amino-4-(4-fluorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-(4-fluorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-4-(4-fluorophenyl)pyridine-2-carboxylic acid is Nc1c(-c2ccc(F)cc2)ccnc1C(=O)O.
What is the InChIKey of 3-amino-4-(4-fluorophenyl)pyridine-2-carboxylic acid?
The InChIKey is FRUTWWVYVLLKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-8-3-1-7(2-4-8)9-5-6-15-11(10(9)14)12(16)17/h1-6H,14H2,(H,16,17).
What are the key properties of 3-amino-4-(4-fluorophenyl)pyridine-2-carboxylic acid?
3-amino-4-(4-fluorophenyl)pyridine-2-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 3-amino-4-(4-fluorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 132590550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).