2-bromo-5-nitro-3-(trifluoromethyl)pyridine

C6H2BrF3N2O2 — CID 53486350

IUPAC2-bromo-5-nitro-3-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1cnc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C6H2BrF3N2O2/c7-5-4(6(8,9)10)1-3(2-11-5)12(13)14/h1-2H
InChIKeyWHTGDIMWBUVWJS-UHFFFAOYSA-N
MW270.99 g/mol
LogP2.77
Rot. Bonds1

About 2-bromo-5-nitro-3-(trifluoromethyl)pyridine

2-bromo-5-nitro-3-(trifluoromethyl)pyridine (PubChem CID 53486350) has the molecular formula C6H2BrF3N2O2 and a molecular weight of 270.99 g/mol. Its IUPAC name is 2-bromo-5-nitro-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-5-nitro-3-(trifluoromethyl)pyridine
PubChem CID53486350
Molecular FormulaC6H2BrF3N2O2
Molecular Weight270.99 g/mol
Exact Mass269.93
IUPAC Name2-bromo-5-nitro-3-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1cnc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C6H2BrF3N2O2/c7-5-4(6(8,9)10)1-3(2-11-5)12(13)14/h1-2H
InChIKeyWHTGDIMWBUVWJS-UHFFFAOYSA-N
XLogP2.77
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.99
LogP ≤ 52.77
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

CID 160722501
CID 160722501
2-(chloromethyl)-5-nitro-3-(trifluoromethyl)pyridine
CID 131500572
2-bromo-3-(difluoromethoxy)-5-nitropyridine
CID 130863918
5-nitro-2-phenylsulfanyl-3-(trifluoromethyl)pyridine
CID 2727288
5-nitro-2-(trifluoromethyl)pyridine-3-thiol
CID 130923500
3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 53407765
1-bromo-2-methyl-5-nitro-3-(trifluoromethyl)benzene
CID 58563490
2-bromo-3-(chloromethyl)-5-nitropyridine
CID 131012860
2-cyano-2-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 90418242
2-bromo-5-nitro-3-(trifluoromethyl)benzonitrile
CID 171000342
2-bromo-3-ethoxy-5-nitropyridine
CID 119000292
2-chloro-5-nitro-3-(trichloromethyl)pyridine
CID 135050314

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-nitro-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-bromo-5-nitro-3-(trifluoromethyl)pyridine (CID 53486350) is 2-bromo-5-nitro-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-5-nitro-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-bromo-5-nitro-3-(trifluoromethyl)pyridine is O=[N+]([O-])c1cnc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 2-bromo-5-nitro-3-(trifluoromethyl)pyridine?
The InChIKey is WHTGDIMWBUVWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3N2O2/c7-5-4(6(8,9)10)1-3(2-11-5)12(13)14/h1-2H.
What are the key properties of 2-bromo-5-nitro-3-(trifluoromethyl)pyridine?
2-bromo-5-nitro-3-(trifluoromethyl)pyridine has a molecular weight of 270.99 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-nitro-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 53486350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).