5-(fluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid

C7H6FNO3 — CID 118011645

IUPAC5-(fluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(CF)c1
InChIInChI=1S/C7H6FNO3/c8-2-4-1-5(7(11)12)3-9-6(4)10/h1,3H,2H2,(H,9,10)(H,11,12)
InChIKeyRKKWOKVFGOLNRE-UHFFFAOYSA-N
MW171.13 g/mol
LogP0.54
Rot. Bonds2

About 5-(fluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid

5-(fluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118011645) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is 5-(fluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(fluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID118011645
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name5-(fluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(CF)c1
InChIInChI=1S/C7H6FNO3/c8-2-4-1-5(7(11)12)3-9-6(4)10/h1,3H,2H2,(H,9,10)(H,11,12)
InChIKeyRKKWOKVFGOLNRE-UHFFFAOYSA-N
XLogP0.54
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-(fluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid (CID 118011645) is 5-(fluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(fluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-(fluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c[nH]c(=O)c(CF)c1.
What is the InChIKey of 5-(fluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is RKKWOKVFGOLNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c8-2-4-1-5(7(11)12)3-9-6(4)10/h1,3H,2H2,(H,9,10)(H,11,12).
What are the key properties of 5-(fluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
5-(fluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 171.13 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118011645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).