3-(3-bromo-5-nitrophenyl)pyridine

C11H7BrN2O2 — CID 119089037

IUPAC3-(3-bromo-5-nitrophenyl)pyridine
SMILESO=[N+]([O-])c1cc(Br)cc(-c2cccnc2)c1
InChIInChI=1S/C11H7BrN2O2/c12-10-4-9(5-11(6-10)14(15)16)8-2-1-3-13-7-8/h1-7H
InChIKeyXLHXQGYGRSWAQL-UHFFFAOYSA-N
MW279.09 g/mol
LogP3.42
Rot. Bonds2

About 3-(3-bromo-5-nitrophenyl)pyridine

3-(3-bromo-5-nitrophenyl)pyridine (PubChem CID 119089037) has the molecular formula C11H7BrN2O2 and a molecular weight of 279.09 g/mol. Its IUPAC name is 3-(3-bromo-5-nitrophenyl)pyridine.

Molecular Properties

Compound Name3-(3-bromo-5-nitrophenyl)pyridine
PubChem CID119089037
Molecular FormulaC11H7BrN2O2
Molecular Weight279.09 g/mol
Exact Mass277.97
IUPAC Name3-(3-bromo-5-nitrophenyl)pyridine
SMILESO=[N+]([O-])c1cc(Br)cc(-c2cccnc2)c1
InChIInChI=1S/C11H7BrN2O2/c12-10-4-9(5-11(6-10)14(15)16)8-2-1-3-13-7-8/h1-7H
InChIKeyXLHXQGYGRSWAQL-UHFFFAOYSA-N
XLogP3.42
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.09
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[3-bromo-5-(trifluoromethyl)phenyl]pyridine
CID 174924855
2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155195987
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
N-(3-nitro-5-pyridin-3-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 140674863
tert-butyl-oxo-(3-pyridin-3-ylphenyl)azanium
CID 139129707
formaldehyde;3-nitropyridine
CID 159977951
6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one
CID 122358383
2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155708562
2-(3-bromo-5-pyridin-3-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155708589
2-(3-bromo-5-nitrophenyl)-5-chloro-1,3,4-oxadiazole
CID 114770827
2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline
CID 67004364
3-(4-bromo-3,5-difluorophenyl)pyridine
CID 164533968

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-nitrophenyl)pyridine?
The IUPAC name of 3-(3-bromo-5-nitrophenyl)pyridine (CID 119089037) is 3-(3-bromo-5-nitrophenyl)pyridine.
What is the SMILES notation for 3-(3-bromo-5-nitrophenyl)pyridine?
The canonical SMILES for 3-(3-bromo-5-nitrophenyl)pyridine is O=[N+]([O-])c1cc(Br)cc(-c2cccnc2)c1.
What is the InChIKey of 3-(3-bromo-5-nitrophenyl)pyridine?
The InChIKey is XLHXQGYGRSWAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O2/c12-10-4-9(5-11(6-10)14(15)16)8-2-1-3-13-7-8/h1-7H.
What are the key properties of 3-(3-bromo-5-nitrophenyl)pyridine?
3-(3-bromo-5-nitrophenyl)pyridine has a molecular weight of 279.09 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-nitrophenyl)pyridine is sourced from PubChem (CID 119089037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).