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

C11H7BrFN3O3 — CID 107089177

IUPAC5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1cccc(F)c1Oc1ncc(CBr)cn1
InChIInChI=1S/C11H7BrFN3O3/c12-4-7-5-14-11(15-6-7)19-10-8(13)2-1-3-9(10)16(17)18/h1-3,5-6H,4H2
InChIKeyRJTQJYLJBFBZGG-UHFFFAOYSA-N
MW328.10 g/mol
LogP3.21
Rot. Bonds4

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

5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine (PubChem CID 107089177) has the molecular formula C11H7BrFN3O3 and a molecular weight of 328.10 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine
PubChem CID107089177
Molecular FormulaC11H7BrFN3O3
Molecular Weight328.10 g/mol
Exact Mass326.97
IUPAC Name5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1cccc(F)c1Oc1ncc(CBr)cn1
InChIInChI=1S/C11H7BrFN3O3/c12-4-7-5-14-11(15-6-7)19-10-8(13)2-1-3-9(10)16(17)18/h1-3,5-6H,4H2
InChIKeyRJTQJYLJBFBZGG-UHFFFAOYSA-N
XLogP3.21
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.10
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde
CID 104831877
5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine
CID 107086310
5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine
CID 104831737
5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine
CID 107088439
5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 104832417
6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine
CID 116798026
1-bromo-3-(2-fluoro-6-nitrophenoxy)propan-2-ol
CID 104831603
potassium trifluoro-[(2-fluoro-6-nitrophenoxy)methyl]boranuide
CID 104832470
5-(bromomethyl)-6-(2-fluoro-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107089176
1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
CID 53255698
[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol
CID 104831942
2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907441

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine?
The IUPAC name of 5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine (CID 107089177) is 5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine.
What is the SMILES notation for 5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine?
The canonical SMILES for 5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine is O=[N+]([O-])c1cccc(F)c1Oc1ncc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine?
The InChIKey is RJTQJYLJBFBZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O3/c12-4-7-5-14-11(15-6-7)19-10-8(13)2-1-3-9(10)16(17)18/h1-3,5-6H,4H2.
What are the key properties of 5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine?
5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine has a molecular weight of 328.10 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine is sourced from PubChem (CID 107089177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).