4-fluoro-6-(3-nitrophenoxy)pyrimidine

C10H6FN3O3 — CID 115416148

IUPAC4-fluoro-6-(3-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1cccc(Oc2cc(F)ncn2)c1
InChIInChI=1S/C10H6FN3O3/c11-9-5-10(13-6-12-9)17-8-3-1-2-7(4-8)14(15)16/h1-6H
InChIKeyVJURDJMVPAKQCX-UHFFFAOYSA-N
MW235.17 g/mol
LogP2.32
Rot. Bonds3

About 4-fluoro-6-(3-nitrophenoxy)pyrimidine

4-fluoro-6-(3-nitrophenoxy)pyrimidine (PubChem CID 115416148) has the molecular formula C10H6FN3O3 and a molecular weight of 235.17 g/mol. Its IUPAC name is 4-fluoro-6-(3-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(3-nitrophenoxy)pyrimidine
PubChem CID115416148
Molecular FormulaC10H6FN3O3
Molecular Weight235.17 g/mol
Exact Mass235.04
IUPAC Name4-fluoro-6-(3-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1cccc(Oc2cc(F)ncn2)c1
InChIInChI=1S/C10H6FN3O3/c11-9-5-10(13-6-12-9)17-8-3-1-2-7(4-8)14(15)16/h1-6H
InChIKeyVJURDJMVPAKQCX-UHFFFAOYSA-N
XLogP2.32
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

[6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920516
4-fluoro-6-(3-fluorophenoxy)pyrimidine
CID 115416111
4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine
CID 113305652
3-chloro-6-(3-nitrophenoxy)pyridazine
CID 6400989
4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80870461
2-bromo-4-(3-nitrophenoxy)pyrimidine
CID 133055918
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol
CID 61032421
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine
CID 61030760
4-chloro-2-methylsulfanyl-6-(3-nitrophenoxy)pyrimidine
CID 113221050
2-fluoro-6-(4-nitrophenoxy)pyridine
CID 21391501
1-[3,3,4,4,5,5-hexafluoro-2-(3-nitrophenoxy)cyclopenten-1-yl]oxy-3-nitrobenzene
CID 14618051
2-methyl-5-(3-nitrophenoxy)pyridine
CID 59712225

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(3-nitrophenoxy)pyrimidine?
The IUPAC name of 4-fluoro-6-(3-nitrophenoxy)pyrimidine (CID 115416148) is 4-fluoro-6-(3-nitrophenoxy)pyrimidine.
What is the SMILES notation for 4-fluoro-6-(3-nitrophenoxy)pyrimidine?
The canonical SMILES for 4-fluoro-6-(3-nitrophenoxy)pyrimidine is O=[N+]([O-])c1cccc(Oc2cc(F)ncn2)c1.
What is the InChIKey of 4-fluoro-6-(3-nitrophenoxy)pyrimidine?
The InChIKey is VJURDJMVPAKQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O3/c11-9-5-10(13-6-12-9)17-8-3-1-2-7(4-8)14(15)16/h1-6H.
What are the key properties of 4-fluoro-6-(3-nitrophenoxy)pyrimidine?
4-fluoro-6-(3-nitrophenoxy)pyrimidine has a molecular weight of 235.17 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(3-nitrophenoxy)pyrimidine is sourced from PubChem (CID 115416148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).