4-fluoro-5-nitro-6-pyrazol-1-ylpyrimidine

C7H4FN5O2 — CID 164659380

IUPAC4-fluoro-5-nitro-6-pyrazol-1-ylpyrimidine
SMILESO=[N+]([O-])c1c(F)ncnc1-n1cccn1
InChIInChI=1S/C7H4FN5O2/c8-6-5(13(14)15)7(10-4-9-6)12-3-1-2-11-12/h1-4H
InChIKeyVLBJHJKHAICRLH-UHFFFAOYSA-N
MW209.14 g/mol
LogP0.71
Rot. Bonds2

About 4-fluoro-5-nitro-6-pyrazol-1-ylpyrimidine

4-fluoro-5-nitro-6-pyrazol-1-ylpyrimidine (PubChem CID 164659380) has the molecular formula C7H4FN5O2 and a molecular weight of 209.14 g/mol. Its IUPAC name is 4-fluoro-5-nitro-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-fluoro-5-nitro-6-pyrazol-1-ylpyrimidine
PubChem CID164659380
Molecular FormulaC7H4FN5O2
Molecular Weight209.14 g/mol
Exact Mass209.03
IUPAC Name4-fluoro-5-nitro-6-pyrazol-1-ylpyrimidine
SMILESO=[N+]([O-])c1c(F)ncnc1-n1cccn1
InChIInChI=1S/C7H4FN5O2/c8-6-5(13(14)15)7(10-4-9-6)12-3-1-2-11-12/h1-4H
InChIKeyVLBJHJKHAICRLH-UHFFFAOYSA-N
XLogP0.71
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-nitro-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-fluoro-5-nitro-6-pyrazol-1-ylpyrimidine (CID 164659380) is 4-fluoro-5-nitro-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-fluoro-5-nitro-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-fluoro-5-nitro-6-pyrazol-1-ylpyrimidine is O=[N+]([O-])c1c(F)ncnc1-n1cccn1.
What is the InChIKey of 4-fluoro-5-nitro-6-pyrazol-1-ylpyrimidine?
The InChIKey is VLBJHJKHAICRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN5O2/c8-6-5(13(14)15)7(10-4-9-6)12-3-1-2-11-12/h1-4H.
What are the key properties of 4-fluoro-5-nitro-6-pyrazol-1-ylpyrimidine?
4-fluoro-5-nitro-6-pyrazol-1-ylpyrimidine has a molecular weight of 209.14 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-nitro-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 164659380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).