5-fluoropyrimidine-2-carbohydrazide

C5H5FN4O — CID 55282020

IUPAC5-fluoropyrimidine-2-carbohydrazide
SMILESNNC(=O)c1ncc(F)cn1
InChIInChI=1S/C5H5FN4O/c6-3-1-8-4(9-2-3)5(11)10-7/h1-2H,7H2,(H,10,11)
InChIKeyQJDWNSSLOISUIP-UHFFFAOYSA-N
MW156.12 g/mol
LogP-0.78
Rot. Bonds1

About 5-fluoropyrimidine-2-carbohydrazide

5-fluoropyrimidine-2-carbohydrazide (PubChem CID 55282020) has the molecular formula C5H5FN4O and a molecular weight of 156.12 g/mol. Its IUPAC name is 5-fluoropyrimidine-2-carbohydrazide.

Molecular Properties

Compound Name5-fluoropyrimidine-2-carbohydrazide
PubChem CID55282020
Molecular FormulaC5H5FN4O
Molecular Weight156.12 g/mol
Exact Mass156.04
IUPAC Name5-fluoropyrimidine-2-carbohydrazide
SMILESNNC(=O)c1ncc(F)cn1
InChIInChI=1S/C5H5FN4O/c6-3-1-8-4(9-2-3)5(11)10-7/h1-2H,7H2,(H,10,11)
InChIKeyQJDWNSSLOISUIP-UHFFFAOYSA-N
XLogP-0.78
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 5-fluoropyrimidine-2-carbohydrazide?
The IUPAC name of 5-fluoropyrimidine-2-carbohydrazide (CID 55282020) is 5-fluoropyrimidine-2-carbohydrazide.
What is the SMILES notation for 5-fluoropyrimidine-2-carbohydrazide?
The canonical SMILES for 5-fluoropyrimidine-2-carbohydrazide is NNC(=O)c1ncc(F)cn1.
What is the InChIKey of 5-fluoropyrimidine-2-carbohydrazide?
The InChIKey is QJDWNSSLOISUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN4O/c6-3-1-8-4(9-2-3)5(11)10-7/h1-2H,7H2,(H,10,11).
What are the key properties of 5-fluoropyrimidine-2-carbohydrazide?
5-fluoropyrimidine-2-carbohydrazide has a molecular weight of 156.12 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropyrimidine-2-carbohydrazide is sourced from PubChem (CID 55282020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).