2-fluoro-5-nitropyrimidine

C4H2FN3O2 — CID 551076

IUPAC2-fluoro-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(F)nc1
InChIInChI=1S/C4H2FN3O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H
InChIKeyWCDBZXCLAVZHBQ-UHFFFAOYSA-N
MW143.08 g/mol
LogP0.52
Rot. Bonds1

About 2-fluoro-5-nitropyrimidine

2-fluoro-5-nitropyrimidine (PubChem CID 551076) has the molecular formula C4H2FN3O2 and a molecular weight of 143.08 g/mol. Its IUPAC name is 2-fluoro-5-nitropyrimidine.

Molecular Properties

Compound Name2-fluoro-5-nitropyrimidine
PubChem CID551076
Molecular FormulaC4H2FN3O2
Molecular Weight143.08 g/mol
Exact Mass143.01
IUPAC Name2-fluoro-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(F)nc1
InChIInChI=1S/C4H2FN3O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H
InChIKeyWCDBZXCLAVZHBQ-UHFFFAOYSA-N
XLogP0.52
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.08
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-nitropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Nitropyrimidin-2-amine
CID 76490
2-Chloro-5-nitropyrimidin-4-amine
CID 74716
2-Chloro-5-nitropyrimidine
CID 82544
5-Nitropyrimidine
CID 11040699
5-Nitropyrimidine-2,4-diamine
CID 275293
2-chloro-N-methyl-5-nitropyrimidin-4-amine
CID 7147232
2-Methoxy-5-nitropyrimidine
CID 352900
2,4-Dichloro-5-nitropyrimidine
CID 521266
2-(Methylthio)-5-nitropyrimidine
CID 258576
N,N-dimethyl-5-nitropyrimidin-2-amine
CID 597701
5-Nitropyrimidin-4-amine
CID 12853555
2-Fluoropyrimidin-5-amine
CID 12215992

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitropyrimidine?
The IUPAC name of 2-fluoro-5-nitropyrimidine (CID 551076) is 2-fluoro-5-nitropyrimidine.
What is the SMILES notation for 2-fluoro-5-nitropyrimidine?
The canonical SMILES for 2-fluoro-5-nitropyrimidine is O=[N+]([O-])c1cnc(F)nc1.
What is the InChIKey of 2-fluoro-5-nitropyrimidine?
The InChIKey is WCDBZXCLAVZHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2FN3O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H.
What are the key properties of 2-fluoro-5-nitropyrimidine?
2-fluoro-5-nitropyrimidine has a molecular weight of 143.08 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-nitropyrimidine is sourced from PubChem (CID 551076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).