1-fluoro-2H-pyridine-4-carboxylic acid

C6H6FNO2 — CID 87701247

IUPAC1-fluoro-2H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=CCN(F)C=C1
InChIInChI=1S/C6H6FNO2/c7-8-3-1-5(2-4-8)6(9)10/h1-3H,4H2,(H,9,10)
InChIKeyLZWSRHPBNACQCY-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.71
Rot. Bonds1

About 1-fluoro-2H-pyridine-4-carboxylic acid

1-fluoro-2H-pyridine-4-carboxylic acid (PubChem CID 87701247) has the molecular formula C6H6FNO2 and a molecular weight of 143.12 g/mol. Its IUPAC name is 1-fluoro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-fluoro-2H-pyridine-4-carboxylic acid
PubChem CID87701247
Molecular FormulaC6H6FNO2
Molecular Weight143.12 g/mol
Exact Mass143.04
IUPAC Name1-fluoro-2H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=CCN(F)C=C1
InChIInChI=1S/C6H6FNO2/c7-8-3-1-5(2-4-8)6(9)10/h1-3H,4H2,(H,9,10)
InChIKeyLZWSRHPBNACQCY-UHFFFAOYSA-N
XLogP0.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 1-fluoro-2H-pyridine-4-carboxylic acid (CID 87701247) is 1-fluoro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-fluoro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-fluoro-2H-pyridine-4-carboxylic acid is O=C(O)C1=CCN(F)C=C1.
What is the InChIKey of 1-fluoro-2H-pyridine-4-carboxylic acid?
The InChIKey is LZWSRHPBNACQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2/c7-8-3-1-5(2-4-8)6(9)10/h1-3H,4H2,(H,9,10).
What are the key properties of 1-fluoro-2H-pyridine-4-carboxylic acid?
1-fluoro-2H-pyridine-4-carboxylic acid has a molecular weight of 143.12 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 87701247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).