2-(3-fluorophenoxy)-5-nitropyrimidine

C10H6FN3O3 — CID 91903137

IUPAC2-(3-fluorophenoxy)-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C10H6FN3O3/c11-7-2-1-3-9(4-7)17-10-12-5-8(6-13-10)14(15)16/h1-6H
InChIKeyQYAZYDKLHYHPKJ-UHFFFAOYSA-N
MW235.17 g/mol
LogP2.32
Rot. Bonds3

About 2-(3-fluorophenoxy)-5-nitropyrimidine

2-(3-fluorophenoxy)-5-nitropyrimidine (PubChem CID 91903137) has the molecular formula C10H6FN3O3 and a molecular weight of 235.17 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-5-nitropyrimidine.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-5-nitropyrimidine
PubChem CID91903137
Molecular FormulaC10H6FN3O3
Molecular Weight235.17 g/mol
Exact Mass235.04
IUPAC Name2-(3-fluorophenoxy)-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C10H6FN3O3/c11-7-2-1-3-9(4-7)17-10-12-5-8(6-13-10)14(15)16/h1-6H
InChIKeyQYAZYDKLHYHPKJ-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

2-(3-chlorophenoxy)-5-nitropyrimidine
CID 91903136
4-(5-nitropyrimidin-2-yl)oxyaniline
CID 61147692
2-(3-fluorophenoxy)-5-nitroaniline
CID 55079751
1-fluoro-3-[(4-nitrophenyl)methoxy]benzene
CID 22137955
1-[(3-fluorophenoxy)methyl]-3-nitrobenzene
CID 60628017
2-(3-ethoxy-4-methylphenoxy)-5-nitropyrimidine
CID 67236723
4-(3-fluorophenoxy)-3-nitropyridin-2-amine
CID 141144009
6-(3-fluorophenoxy)-3-nitropyridine-2-carbonitrile
CID 133499943
2-[(3-fluorophenoxy)methyl]-4-nitroaniline
CID 62193712
6-chloro-2-(3-fluorophenoxy)-3-nitropyridine
CID 54915179
1-(3-chlorophenoxy)-3-fluoro-5-nitrobenzene
CID 80753305
1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene
CID 80752789

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-5-nitropyrimidine?
The IUPAC name of 2-(3-fluorophenoxy)-5-nitropyrimidine (CID 91903137) is 2-(3-fluorophenoxy)-5-nitropyrimidine.
What is the SMILES notation for 2-(3-fluorophenoxy)-5-nitropyrimidine?
The canonical SMILES for 2-(3-fluorophenoxy)-5-nitropyrimidine is O=[N+]([O-])c1cnc(Oc2cccc(F)c2)nc1.
What is the InChIKey of 2-(3-fluorophenoxy)-5-nitropyrimidine?
The InChIKey is QYAZYDKLHYHPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O3/c11-7-2-1-3-9(4-7)17-10-12-5-8(6-13-10)14(15)16/h1-6H.
What are the key properties of 2-(3-fluorophenoxy)-5-nitropyrimidine?
2-(3-fluorophenoxy)-5-nitropyrimidine 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-(3-fluorophenoxy)-5-nitropyrimidine is sourced from PubChem (CID 91903137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).