2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine

C13H10BrFN2O3 — CID 79800306

IUPAC2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine
SMILESO=[N+]([O-])c1ccc(F)cc1COc1ccc(CBr)nc1
InChIInChI=1S/C13H10BrFN2O3/c14-6-11-2-3-12(7-16-11)20-8-9-5-10(15)1-4-13(9)17(18)19/h1-5,7H,6,8H2
InChIKeyMDLVOSUMLNQYJA-UHFFFAOYSA-N
MW341.14 g/mol
LogP3.60
Rot. Bonds5

About 2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine

2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine (PubChem CID 79800306) has the molecular formula C13H10BrFN2O3 and a molecular weight of 341.14 g/mol. Its IUPAC name is 2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine
PubChem CID79800306
Molecular FormulaC13H10BrFN2O3
Molecular Weight341.14 g/mol
Exact Mass339.99
IUPAC Name2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine
SMILESO=[N+]([O-])c1ccc(F)cc1COc1ccc(CBr)nc1
InChIInChI=1S/C13H10BrFN2O3/c14-6-11-2-3-12(7-16-11)20-8-9-5-10(15)1-4-13(9)17(18)19/h1-5,7H,6,8H2
InChIKeyMDLVOSUMLNQYJA-UHFFFAOYSA-N
XLogP3.60
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(5-fluoro-2-nitrophenyl)methoxy]phenol
CID 43443691
2-[[3-(bromomethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
CID 43443687
2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine
CID 79790004
1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-nitrophenyl)methoxy]benzene
CID 115956803
2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde
CID 81497136
1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60878936
2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene
CID 114320904
[5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine
CID 107348052
4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene
CID 47230967
2-(bromomethyl)-5-[(2-methoxyphenyl)methoxy]pyridine
CID 79799388
2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
CID 43443680
2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 43443648

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine?
The IUPAC name of 2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine (CID 79800306) is 2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine.
What is the SMILES notation for 2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine?
The canonical SMILES for 2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine is O=[N+]([O-])c1ccc(F)cc1COc1ccc(CBr)nc1.
What is the InChIKey of 2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine?
The InChIKey is MDLVOSUMLNQYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O3/c14-6-11-2-3-12(7-16-11)20-8-9-5-10(15)1-4-13(9)17(18)19/h1-5,7H,6,8H2.
What are the key properties of 2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine?
2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine has a molecular weight of 341.14 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine is sourced from PubChem (CID 79800306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).