2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine

C12H8BrClFN3O3 — CID 103483229

IUPAC2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine
SMILESCc1nc(Cl)c(Oc2cc(F)c(Br)cc2[N+](=O)[O-])nc1C
InChIInChI=1S/C12H8BrClFN3O3/c1-5-6(2)17-12(11(14)16-5)21-10-4-8(15)7(13)3-9(10)18(19)20/h3-4H,1-2H3
InChIKeySMAKDCJPIFCVJL-UHFFFAOYSA-N
MW376.57 g/mol
LogP4.35
Rot. Bonds3

About 2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine

2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine (PubChem CID 103483229) has the molecular formula C12H8BrClFN3O3 and a molecular weight of 376.57 g/mol. Its IUPAC name is 2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine.

Molecular Properties

Compound Name2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine
PubChem CID103483229
Molecular FormulaC12H8BrClFN3O3
Molecular Weight376.57 g/mol
Exact Mass374.94
IUPAC Name2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine
SMILESCc1nc(Cl)c(Oc2cc(F)c(Br)cc2[N+](=O)[O-])nc1C
InChIInChI=1S/C12H8BrClFN3O3/c1-5-6(2)17-12(11(14)16-5)21-10-4-8(15)7(13)3-9(10)18(19)20/h3-4H,1-2H3
InChIKeySMAKDCJPIFCVJL-UHFFFAOYSA-N
XLogP4.35
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 54.35
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-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine
CID 103483204
2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole
CID 103483415
2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-(chloromethyl)-3-methylpyridine
CID 103483413
2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine
CID 103201617
1-bromo-4-(4-bromo-3-methylphenoxy)-2-fluoro-5-nitrobenzene
CID 83140191
5-bromo-2-chloro-6-methyl-3-nitropyridine
CID 10610778
5-bromo-4-(4-bromo-5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 103483958
2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-methylbenzonitrile
CID 103483239
2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile
CID 103483256
[4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 103484708
5-(4-bromo-5-fluoro-2-nitrophenoxy)-4-(bromomethyl)-1,3-dimethylpyrazole
CID 107089446
3-(4-bromo-5-fluoro-2-nitrophenoxy)pyridazine-4-carbonitrile
CID 103483234

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine?
The IUPAC name of 2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine (CID 103483229) is 2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine.
What is the SMILES notation for 2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine?
The canonical SMILES for 2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine is Cc1nc(Cl)c(Oc2cc(F)c(Br)cc2[N+](=O)[O-])nc1C.
What is the InChIKey of 2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine?
The InChIKey is SMAKDCJPIFCVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFN3O3/c1-5-6(2)17-12(11(14)16-5)21-10-4-8(15)7(13)3-9(10)18(19)20/h3-4H,1-2H3.
What are the key properties of 2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine?
2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine has a molecular weight of 376.57 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine is sourced from PubChem (CID 103483229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).