4-(fluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile

C7H5FN2O2 — CID 171788176

IUPAC4-(fluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(CF)cc(=O)[nH]c1O
InChIInChI=1S/C7H5FN2O2/c8-2-4-1-6(11)10-7(12)5(4)3-9/h1H,2H2,(H2,10,11,12)
InChIKeyIKRYXQOANKTQCI-UHFFFAOYSA-N
MW168.13 g/mol
LogP0.42
Rot. Bonds1

About 4-(fluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile

4-(fluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 171788176) has the molecular formula C7H5FN2O2 and a molecular weight of 168.13 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(fluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID171788176
Molecular FormulaC7H5FN2O2
Molecular Weight168.13 g/mol
Exact Mass168.03
IUPAC Name4-(fluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(CF)cc(=O)[nH]c1O
InChIInChI=1S/C7H5FN2O2/c8-2-4-1-6(11)10-7(12)5(4)3-9/h1H,2H2,(H2,10,11,12)
InChIKeyIKRYXQOANKTQCI-UHFFFAOYSA-N
XLogP0.42
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(fluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (CID 171788176) is 4-(fluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(fluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(fluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(CF)cc(=O)[nH]c1O.
What is the InChIKey of 4-(fluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is IKRYXQOANKTQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O2/c8-2-4-1-6(11)10-7(12)5(4)3-9/h1H,2H2,(H2,10,11,12).
What are the key properties of 4-(fluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
4-(fluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 168.13 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 171788176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).