2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde

C11H6FN3O4 — CID 104831877

IUPAC2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(Oc2c(F)cccc2[N+](=O)[O-])nc1
InChIInChI=1S/C11H6FN3O4/c12-8-2-1-3-9(15(17)18)10(8)19-11-13-4-7(6-16)5-14-11/h1-6H
InChIKeyRGXKPMCIJDYGCI-UHFFFAOYSA-N
MW263.18 g/mol
LogP2.13
Rot. Bonds4

About 2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde

2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde (PubChem CID 104831877) has the molecular formula C11H6FN3O4 and a molecular weight of 263.18 g/mol. Its IUPAC name is 2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde
PubChem CID104831877
Molecular FormulaC11H6FN3O4
Molecular Weight263.18 g/mol
Exact Mass263.03
IUPAC Name2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(Oc2c(F)cccc2[N+](=O)[O-])nc1
InChIInChI=1S/C11H6FN3O4/c12-8-2-1-3-9(15(17)18)10(8)19-11-13-4-7(6-16)5-14-11/h1-6H
InChIKeyRGXKPMCIJDYGCI-UHFFFAOYSA-N
XLogP2.13
TPSA95.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine
CID 107089177
2-(2-fluoro-6-nitrophenoxy)benzaldehyde
CID 104831883
2-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidine-5-carbaldehyde
CID 114417001
2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907441
potassium trifluoro-[(2-fluoro-6-nitrophenoxy)methyl]boranuide
CID 104832470
2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107546052
6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine
CID 116798026
1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
CID 53255698
[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol
CID 104831942
4-chloro-6-(2-fluoro-6-nitrophenoxy)-5-propylpyrimidine
CID 104831666
4-chloro-5-(chloromethyl)-6-(2-fluoro-6-nitrophenoxy)pyrimidine
CID 107089174
1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 104831856

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde (CID 104831877) is 2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde is O=Cc1cnc(Oc2c(F)cccc2[N+](=O)[O-])nc1.
What is the InChIKey of 2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde?
The InChIKey is RGXKPMCIJDYGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O4/c12-8-2-1-3-9(15(17)18)10(8)19-11-13-4-7(6-16)5-14-11/h1-6H.
What are the key properties of 2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde?
2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde has a molecular weight of 263.18 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 104831877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).