5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine

C11H4BrClF2N2O2 — CID 118196265

IUPAC5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1-c1cc(F)c(Cl)c(F)c1
InChIInChI=1S/C11H4BrClF2N2O2/c12-6-3-9(17(18)19)11(16-4-6)5-1-7(14)10(13)8(15)2-5/h1-4H
InChIKeyCWIHAXQUWGDJAK-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.35
Rot. Bonds2

About 5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine

5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine (PubChem CID 118196265) has the molecular formula C11H4BrClF2N2O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine.

Molecular Properties

Compound Name5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine
PubChem CID118196265
Molecular FormulaC11H4BrClF2N2O2
Molecular Weight349.52 g/mol
Exact Mass347.91
IUPAC Name5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1-c1cc(F)c(Cl)c(F)c1
InChIInChI=1S/C11H4BrClF2N2O2/c12-6-3-9(17(18)19)11(16-4-6)5-1-7(14)10(13)8(15)2-5/h1-4H
InChIKeyCWIHAXQUWGDJAK-UHFFFAOYSA-N
XLogP4.35
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine?
The IUPAC name of 5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine (CID 118196265) is 5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine.
What is the SMILES notation for 5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine?
The canonical SMILES for 5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine is O=[N+]([O-])c1cc(Br)cnc1-c1cc(F)c(Cl)c(F)c1.
What is the InChIKey of 5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine?
The InChIKey is CWIHAXQUWGDJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrClF2N2O2/c12-6-3-9(17(18)19)11(16-4-6)5-1-7(14)10(13)8(15)2-5/h1-4H.
What are the key properties of 5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine?
5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine has a molecular weight of 349.52 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine is sourced from PubChem (CID 118196265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).