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

C12H9BrN2O3 — CID 39528226

IUPAC3-bromo-5-[(2-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1ccccc1OCc1cncc(Br)c1
InChIInChI=1S/C12H9BrN2O3/c13-10-5-9(6-14-7-10)8-18-12-4-2-1-3-11(12)15(16)17/h1-7H,8H2
InChIKeyVLEWPSOQRRFGCV-UHFFFAOYSA-N
MW309.12 g/mol
LogP3.33
Rot. Bonds4

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

3-bromo-5-[(2-nitrophenoxy)methyl]pyridine (PubChem CID 39528226) has the molecular formula C12H9BrN2O3 and a molecular weight of 309.12 g/mol. Its IUPAC name is 3-bromo-5-[(2-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(2-nitrophenoxy)methyl]pyridine
PubChem CID39528226
Molecular FormulaC12H9BrN2O3
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC Name3-bromo-5-[(2-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1ccccc1OCc1cncc(Br)c1
InChIInChI=1S/C12H9BrN2O3/c13-10-5-9(6-14-7-10)8-18-12-4-2-1-3-11(12)15(16)17/h1-7H,8H2
InChIKeyVLEWPSOQRRFGCV-UHFFFAOYSA-N
XLogP3.33
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 53.33
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-bromo-6-nitrophenoxy)methyl]pyridine
CID 115741675
3-bromo-5-[[5-(chloromethyl)-2-nitrophenoxy]methyl]pyridine
CID 104799147
3-bromo-5-[(2-chloro-6-nitrophenoxy)methyl]pyridine
CID 103764410
3-bromo-5-[(5-methoxy-2-nitrophenoxy)methyl]pyridine
CID 102703224
1-[3-[(5-bromo-3-pyridinyl)methoxy]-4-nitrophenyl]-N-methylmethanamine
CID 104796258
3-bromo-5-[[2-(bromomethyl)-4-nitrophenoxy]methyl]pyridine
CID 104799091
3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine
CID 104798982
4-[(2-nitrophenoxy)methyl]-1,2-oxazole
CID 71413295
5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine
CID 166176140
4-bromo-2-nitro-1-phenylmethoxybenzene
CID 11278242
1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene
CID 78797422
4-bromo-1-[(3-bromophenyl)methoxy]-2-nitrobenzene
CID 65431310

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2-nitrophenoxy)methyl]pyridine?
The IUPAC name of 3-bromo-5-[(2-nitrophenoxy)methyl]pyridine (CID 39528226) is 3-bromo-5-[(2-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(2-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 3-bromo-5-[(2-nitrophenoxy)methyl]pyridine is O=[N+]([O-])c1ccccc1OCc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[(2-nitrophenoxy)methyl]pyridine?
The InChIKey is VLEWPSOQRRFGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O3/c13-10-5-9(6-14-7-10)8-18-12-4-2-1-3-11(12)15(16)17/h1-7H,8H2.
What are the key properties of 3-bromo-5-[(2-nitrophenoxy)methyl]pyridine?
3-bromo-5-[(2-nitrophenoxy)methyl]pyridine has a molecular weight of 309.12 g/mol, XLogP of 3.33, 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-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 39528226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).