5-fluoro-6-oxo-1H-pyrimidine-4-carbonitrile

C5H2FN3O — CID 137241628

IUPAC5-fluoro-6-oxo-1H-pyrimidine-4-carbonitrile
SMILESN#Cc1nc[nH]c(=O)c1F
InChIInChI=1S/C5H2FN3O/c6-4-3(1-7)8-2-9-5(4)10/h2H,(H,8,9,10)
InChIKeyWJFHPNVGGYEWCK-UHFFFAOYSA-N
MW139.09 g/mol
LogP-0.22
Rot. Bonds

About 5-fluoro-6-oxo-1H-pyrimidine-4-carbonitrile

5-fluoro-6-oxo-1H-pyrimidine-4-carbonitrile (PubChem CID 137241628) has the molecular formula C5H2FN3O and a molecular weight of 139.09 g/mol. Its IUPAC name is 5-fluoro-6-oxo-1H-pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6-oxo-1H-pyrimidine-4-carbonitrile
PubChem CID137241628
Molecular FormulaC5H2FN3O
Molecular Weight139.09 g/mol
Exact Mass139.02
IUPAC Name5-fluoro-6-oxo-1H-pyrimidine-4-carbonitrile
SMILESN#Cc1nc[nH]c(=O)c1F
InChIInChI=1S/C5H2FN3O/c6-4-3(1-7)8-2-9-5(4)10/h2H,(H,8,9,10)
InChIKeyWJFHPNVGGYEWCK-UHFFFAOYSA-N
XLogP-0.22
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.09
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-oxo-1H-pyrimidine-4-carbonitrile?
The IUPAC name of 5-fluoro-6-oxo-1H-pyrimidine-4-carbonitrile (CID 137241628) is 5-fluoro-6-oxo-1H-pyrimidine-4-carbonitrile.
What is the SMILES notation for 5-fluoro-6-oxo-1H-pyrimidine-4-carbonitrile?
The canonical SMILES for 5-fluoro-6-oxo-1H-pyrimidine-4-carbonitrile is N#Cc1nc[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-6-oxo-1H-pyrimidine-4-carbonitrile?
The InChIKey is WJFHPNVGGYEWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2FN3O/c6-4-3(1-7)8-2-9-5(4)10/h2H,(H,8,9,10).
What are the key properties of 5-fluoro-6-oxo-1H-pyrimidine-4-carbonitrile?
5-fluoro-6-oxo-1H-pyrimidine-4-carbonitrile has a molecular weight of 139.09 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-oxo-1H-pyrimidine-4-carbonitrile is sourced from PubChem (CID 137241628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).