2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine

C11H5BrClFN2O2 — CID 114070936

IUPAC2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)nc(-c2cc(Br)ccc2F)c1
InChIInChI=1S/C11H5BrClFN2O2/c12-6-1-2-9(14)8(3-6)10-4-7(16(17)18)5-11(13)15-10/h1-5H
InChIKeyFTTRSTUGVRSRGV-UHFFFAOYSA-N
MW331.53 g/mol
LogP4.21
Rot. Bonds2

About 2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine

2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine (PubChem CID 114070936) has the molecular formula C11H5BrClFN2O2 and a molecular weight of 331.53 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine
PubChem CID114070936
Molecular FormulaC11H5BrClFN2O2
Molecular Weight331.53 g/mol
Exact Mass329.92
IUPAC Name2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)nc(-c2cc(Br)ccc2F)c1
InChIInChI=1S/C11H5BrClFN2O2/c12-6-1-2-9(14)8(3-6)10-4-7(16(17)18)5-11(13)15-10/h1-5H
InChIKeyFTTRSTUGVRSRGV-UHFFFAOYSA-N
XLogP4.21
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine
CID 114070754
2-(5-bromo-2-fluorophenyl)-6-chloropyridine
CID 79742890
4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine
CID 84604363
2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine
CID 114070928
4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine
CID 80945263
2-chloro-6-(2-methoxyphenyl)-4-nitropyridine
CID 114070923
4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol
CID 162441556
2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine
CID 86633494
N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine
CID 114070862
N-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline
CID 63463983
2-(5-bromo-2-fluorophenyl)-4-chloro-1,3-thiazole
CID 83158213
6-chloro-N-(2-fluoro-5-methylphenyl)-4-nitropyridin-2-amine
CID 114070777

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine (CID 114070936) is 2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine is O=[N+]([O-])c1cc(Cl)nc(-c2cc(Br)ccc2F)c1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine?
The InChIKey is FTTRSTUGVRSRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClFN2O2/c12-6-1-2-9(14)8(3-6)10-4-7(16(17)18)5-11(13)15-10/h1-5H.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine?
2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine has a molecular weight of 331.53 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine is sourced from PubChem (CID 114070936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).