2-fluoro-4-(4-nitrophenoxy)pyrimidine

C10H6FN3O3 — CID 133055231

IUPAC2-fluoro-4-(4-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1ccc(Oc2ccnc(F)n2)cc1
InChIInChI=1S/C10H6FN3O3/c11-10-12-6-5-9(13-10)17-8-3-1-7(2-4-8)14(15)16/h1-6H
InChIKeyUDBGNKHYKFLRRA-UHFFFAOYSA-N
MW235.17 g/mol
LogP2.32
Rot. Bonds3

About 2-fluoro-4-(4-nitrophenoxy)pyrimidine

2-fluoro-4-(4-nitrophenoxy)pyrimidine (PubChem CID 133055231) has the molecular formula C10H6FN3O3 and a molecular weight of 235.17 g/mol. Its IUPAC name is 2-fluoro-4-(4-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name2-fluoro-4-(4-nitrophenoxy)pyrimidine
PubChem CID133055231
Molecular FormulaC10H6FN3O3
Molecular Weight235.17 g/mol
Exact Mass235.04
IUPAC Name2-fluoro-4-(4-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1ccc(Oc2ccnc(F)n2)cc1
InChIInChI=1S/C10H6FN3O3/c11-10-12-6-5-9(13-10)17-8-3-1-7(2-4-8)14(15)16/h1-6H
InChIKeyUDBGNKHYKFLRRA-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

[4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920432
2-fluoro-6-(4-nitrophenoxy)pyridine
CID 21391501
2-(4-fluorophenoxy)-6-nitroquinoline
CID 155587947
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
2-bromo-4-(3-nitrophenoxy)pyrimidine
CID 133055918
4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80870461
2-(4-nitrophenoxy)-1H-imidazole
CID 123256128
2-(3-bromo-4-fluorophenoxy)-4-nitropyridine
CID 83234948
4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine
CID 103588576
2-ethyl-5-(4-nitrophenoxy)pyrazine
CID 166924609
2-methyl-4-(4-nitrophenoxy)furo[2,3-b]pyridine
CID 58272180
1-(iodomethoxy)-4-nitrobenzene
CID 70647757

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-nitrophenoxy)pyrimidine?
The IUPAC name of 2-fluoro-4-(4-nitrophenoxy)pyrimidine (CID 133055231) is 2-fluoro-4-(4-nitrophenoxy)pyrimidine.
What is the SMILES notation for 2-fluoro-4-(4-nitrophenoxy)pyrimidine?
The canonical SMILES for 2-fluoro-4-(4-nitrophenoxy)pyrimidine is O=[N+]([O-])c1ccc(Oc2ccnc(F)n2)cc1.
What is the InChIKey of 2-fluoro-4-(4-nitrophenoxy)pyrimidine?
The InChIKey is UDBGNKHYKFLRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O3/c11-10-12-6-5-9(13-10)17-8-3-1-7(2-4-8)14(15)16/h1-6H.
What are the key properties of 2-fluoro-4-(4-nitrophenoxy)pyrimidine?
2-fluoro-4-(4-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 2-fluoro-4-(4-nitrophenoxy)pyrimidine is sourced from PubChem (CID 133055231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).