4-amino-5-fluoropyridine-2-carboxylic acid

C6H5FN2O2 — CID 121230968

IUPAC4-amino-5-fluoropyridine-2-carboxylic acid
SMILESNc1cc(C(=O)O)ncc1F
InChIInChI=1S/C6H5FN2O2/c7-3-2-9-5(6(10)11)1-4(3)8/h1-2H,(H2,8,9)(H,10,11)
InChIKeyKURRXXFKJGCBOT-UHFFFAOYSA-N
MW156.12 g/mol
LogP0.50
Rot. Bonds1

About 4-amino-5-fluoropyridine-2-carboxylic acid

4-amino-5-fluoropyridine-2-carboxylic acid (PubChem CID 121230968) has the molecular formula C6H5FN2O2 and a molecular weight of 156.12 g/mol. Its IUPAC name is 4-amino-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-fluoropyridine-2-carboxylic acid
PubChem CID121230968
Molecular FormulaC6H5FN2O2
Molecular Weight156.12 g/mol
Exact Mass156.03
IUPAC Name4-amino-5-fluoropyridine-2-carboxylic acid
SMILESNc1cc(C(=O)O)ncc1F
InChIInChI=1S/C6H5FN2O2/c7-3-2-9-5(6(10)11)1-4(3)8/h1-2H,(H2,8,9)(H,10,11)
InChIKeyKURRXXFKJGCBOT-UHFFFAOYSA-N
XLogP0.50
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 4-amino-5-fluoropyridine-2-carboxylic acid (CID 121230968) is 4-amino-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-5-fluoropyridine-2-carboxylic acid is Nc1cc(C(=O)O)ncc1F.
What is the InChIKey of 4-amino-5-fluoropyridine-2-carboxylic acid?
The InChIKey is KURRXXFKJGCBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O2/c7-3-2-9-5(6(10)11)1-4(3)8/h1-2H,(H2,8,9)(H,10,11).
What are the key properties of 4-amino-5-fluoropyridine-2-carboxylic acid?
4-amino-5-fluoropyridine-2-carboxylic acid has a molecular weight of 156.12 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 121230968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).