3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine

C12H8BrFN2O3 — CID 105368287

IUPAC3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine
SMILESCc1cnc(Oc2cc(F)ccc2[N+](=O)[O-])c(Br)c1
InChIInChI=1S/C12H8BrFN2O3/c1-7-4-9(13)12(15-6-7)19-11-5-8(14)2-3-10(11)16(17)18/h2-6H,1H3
InChIKeyBNDOYDQZEMZSMQ-UHFFFAOYSA-N
MW327.11 g/mol
LogP3.99
Rot. Bonds3

About 3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine

3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine (PubChem CID 105368287) has the molecular formula C12H8BrFN2O3 and a molecular weight of 327.11 g/mol. Its IUPAC name is 3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine
PubChem CID105368287
Molecular FormulaC12H8BrFN2O3
Molecular Weight327.11 g/mol
Exact Mass325.97
IUPAC Name3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine
SMILESCc1cnc(Oc2cc(F)ccc2[N+](=O)[O-])c(Br)c1
InChIInChI=1S/C12H8BrFN2O3/c1-7-4-9(13)12(15-6-7)19-11-5-8(14)2-3-10(11)16(17)18/h2-6H,1H3
InChIKeyBNDOYDQZEMZSMQ-UHFFFAOYSA-N
XLogP3.99
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.11
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3,5-dibromo-2-(5-methyl-2-nitrophenoxy)pyridine
CID 113413888
5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine
CID 79075513
5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine
CID 66320498
3-bromo-2-(4-fluorophenoxy)-5-methylpyridine
CID 105368202
2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine
CID 81133094
2-(2-bromo-5-fluorophenoxy)-5-methyl-4-nitropyridine
CID 83267572
2-(4-bromophenoxy)-4-fluoro-1-nitrobenzene
CID 62377093
2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine
CID 114051796
5-methyl-2-(2-nitrophenoxy)pyridin-3-amine
CID 114051048
3-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62701072
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine
CID 113452203

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine?
The IUPAC name of 3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine (CID 105368287) is 3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine.
What is the SMILES notation for 3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine?
The canonical SMILES for 3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine is Cc1cnc(Oc2cc(F)ccc2[N+](=O)[O-])c(Br)c1.
What is the InChIKey of 3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine?
The InChIKey is BNDOYDQZEMZSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O3/c1-7-4-9(13)12(15-6-7)19-11-5-8(14)2-3-10(11)16(17)18/h2-6H,1H3.
What are the key properties of 3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine?
3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine has a molecular weight of 327.11 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine is sourced from PubChem (CID 105368287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).