4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine

C11H8FN3O4 — CID 113305652

IUPAC4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1cc(F)ncn1
InChIInChI=1S/C11H8FN3O4/c1-18-9-4-7(15(16)17)2-3-8(9)19-11-5-10(12)13-6-14-11/h2-6H,1H3
InChIKeyGVLNZPFWPZSARB-UHFFFAOYSA-N
MW265.20 g/mol
LogP2.32
Rot. Bonds4

About 4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine

4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine (PubChem CID 113305652) has the molecular formula C11H8FN3O4 and a molecular weight of 265.20 g/mol. Its IUPAC name is 4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine
PubChem CID113305652
Molecular FormulaC11H8FN3O4
Molecular Weight265.20 g/mol
Exact Mass265.05
IUPAC Name4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1cc(F)ncn1
InChIInChI=1S/C11H8FN3O4/c1-18-9-4-7(15(16)17)2-3-8(9)19-11-5-10(12)13-6-14-11/h2-6H,1H3
InChIKeyGVLNZPFWPZSARB-UHFFFAOYSA-N
XLogP2.32
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
CID 80871254
2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine
CID 63961925
2-fluoro-6-(2-methoxy-5-nitrophenoxy)pyridine
CID 61227798
4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine
CID 143321178
4-fluoro-6-(3-nitrophenoxy)pyrimidine
CID 115416148
4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine
CID 62111115
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
trifluoro-[(2-methoxy-4-nitrophenoxy)methyl]boranuide
CID 63703665
3,5-bis(2-methoxy-4-nitrophenoxy)aniline
CID 87090189
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83109960
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine?
The IUPAC name of 4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine (CID 113305652) is 4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine.
What is the SMILES notation for 4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine?
The canonical SMILES for 4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine is COc1cc([N+](=O)[O-])ccc1Oc1cc(F)ncn1.
What is the InChIKey of 4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine?
The InChIKey is GVLNZPFWPZSARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O4/c1-18-9-4-7(15(16)17)2-3-8(9)19-11-5-10(12)13-6-14-11/h2-6H,1H3.
What are the key properties of 4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine?
4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine has a molecular weight of 265.20 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine is sourced from PubChem (CID 113305652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).