2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine

C11H7BrFN3O3 — CID 112754869

IUPAC2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine
SMILESCc1cc(Oc2cnc(Br)cn2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H7BrFN3O3/c1-6-2-9(7(13)3-8(6)16(17)18)19-11-5-14-10(12)4-15-11/h2-5H,1H3
InChIKeySUIDTWOXIOAOSL-UHFFFAOYSA-N
MW328.10 g/mol
LogP3.39
Rot. Bonds3

About 2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine

2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine (PubChem CID 112754869) has the molecular formula C11H7BrFN3O3 and a molecular weight of 328.10 g/mol. Its IUPAC name is 2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine.

Molecular Properties

Compound Name2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine
PubChem CID112754869
Molecular FormulaC11H7BrFN3O3
Molecular Weight328.10 g/mol
Exact Mass326.97
IUPAC Name2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine
SMILESCc1cc(Oc2cnc(Br)cn2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H7BrFN3O3/c1-6-2-9(7(13)3-8(6)16(17)18)19-11-5-14-10(12)4-15-11/h2-5H,1H3
InChIKeySUIDTWOXIOAOSL-UHFFFAOYSA-N
XLogP3.39
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.10
LogP ≤ 53.39
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

6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114417003
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 114416376
2-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidine-5-carbaldehyde
CID 114417001
4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine
CID 114416597
4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 114418383
[6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 114418608
6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde
CID 114417002
2-(2-bromo-5-fluorophenoxy)-5-methyl-4-nitropyridine
CID 83267572
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid
CID 114416377
2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 114416610
5-chloro-2-(2,5-difluoro-4-nitrophenoxy)pyridine
CID 66234348
1-fluoro-4-methyl-5-nitro-2-(trifluoromethoxy)benzene
CID 134628194

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine?
The IUPAC name of 2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine (CID 112754869) is 2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine.
What is the SMILES notation for 2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine?
The canonical SMILES for 2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine is Cc1cc(Oc2cnc(Br)cn2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine?
The InChIKey is SUIDTWOXIOAOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O3/c1-6-2-9(7(13)3-8(6)16(17)18)19-11-5-14-10(12)4-15-11/h2-5H,1H3.
What are the key properties of 2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine?
2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine has a molecular weight of 328.10 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine is sourced from PubChem (CID 112754869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).