3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine

C12H8Br2N2O3 — CID 115741675

IUPAC3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1cccc(Br)c1OCc1cncc(Br)c1
InChIInChI=1S/C12H8Br2N2O3/c13-9-4-8(5-15-6-9)7-19-12-10(14)2-1-3-11(12)16(17)18/h1-6H,7H2
InChIKeyLHHKGDJXWVDIIO-UHFFFAOYSA-N
MW388.02 g/mol
LogP4.09
Rot. Bonds4

About 3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine

3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine (PubChem CID 115741675) has the molecular formula C12H8Br2N2O3 and a molecular weight of 388.02 g/mol. Its IUPAC name is 3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine
PubChem CID115741675
Molecular FormulaC12H8Br2N2O3
Molecular Weight388.02 g/mol
Exact Mass385.89
IUPAC Name3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1cccc(Br)c1OCc1cncc(Br)c1
InChIInChI=1S/C12H8Br2N2O3/c13-9-4-8(5-15-6-9)7-19-12-10(14)2-1-3-11(12)16(17)18/h1-6H,7H2
InChIKeyLHHKGDJXWVDIIO-UHFFFAOYSA-N
XLogP4.09
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.02
LogP ≤ 54.09
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-bromo-5-[(2-chloro-6-nitrophenoxy)methyl]pyridine
CID 103764410
3-bromo-5-[(2-nitrophenoxy)methyl]pyridine
CID 39528226
1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene
CID 81499450
3-bromo-5-[[5-(chloromethyl)-2-nitrophenoxy]methyl]pyridine
CID 104799147
3-bromo-5-[(5-methoxy-2-nitrophenoxy)methyl]pyridine
CID 102703224
1-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]-3-nitrobenzene
CID 81496190
1-[3-[(5-bromo-3-pyridinyl)methoxy]-4-nitrophenyl]-N-methylmethanamine
CID 104796258
2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene
CID 81499595
1-bromo-2-(2-chloroethoxy)-3-nitrobenzene
CID 81499939
1-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]-3-nitrobenzene
CID 81496186
3-bromo-5-[[2-(bromomethyl)-4-nitrophenoxy]methyl]pyridine
CID 104799091
1-bromo-2-but-3-ynoxy-3-nitrobenzene
CID 81499971

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine?
The IUPAC name of 3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine (CID 115741675) is 3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine is O=[N+]([O-])c1cccc(Br)c1OCc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine?
The InChIKey is LHHKGDJXWVDIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O3/c13-9-4-8(5-15-6-9)7-19-12-10(14)2-1-3-11(12)16(17)18/h1-6H,7H2.
What are the key properties of 3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine?
3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine has a molecular weight of 388.02 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 115741675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).