3-(bromomethyl)-4-nitro-2-(trifluoromethyl)pyridine

C7H4BrF3N2O2 — CID 131526162

IUPAC3-(bromomethyl)-4-nitro-2-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1ccnc(C(F)(F)F)c1CBr
InChIInChI=1S/C7H4BrF3N2O2/c8-3-4-5(13(14)15)1-2-12-6(4)7(9,10)11/h1-2H,3H2
InChIKeyNUEXMNIZYFWEKE-UHFFFAOYSA-N
MW285.02 g/mol
LogP2.90
Rot. Bonds2

About 3-(bromomethyl)-4-nitro-2-(trifluoromethyl)pyridine

3-(bromomethyl)-4-nitro-2-(trifluoromethyl)pyridine (PubChem CID 131526162) has the molecular formula C7H4BrF3N2O2 and a molecular weight of 285.02 g/mol. Its IUPAC name is 3-(bromomethyl)-4-nitro-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-4-nitro-2-(trifluoromethyl)pyridine
PubChem CID131526162
Molecular FormulaC7H4BrF3N2O2
Molecular Weight285.02 g/mol
Exact Mass283.94
IUPAC Name3-(bromomethyl)-4-nitro-2-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1ccnc(C(F)(F)F)c1CBr
InChIInChI=1S/C7H4BrF3N2O2/c8-3-4-5(13(14)15)1-2-12-6(4)7(9,10)11/h1-2H,3H2
InChIKeyNUEXMNIZYFWEKE-UHFFFAOYSA-N
XLogP2.90
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.02
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(bromomethyl)-3-methyl-1-nitro-4-(trifluoromethyl)benzene
CID 131325582
ethyl 4-nitro-2-(trifluoromethyl)pyridine-3-carboxylate
CID 133096769
2-(bromomethyl)-1,3-dinitrobenzene
CID 10848958
2-(bromomethyl)-3-nitro-6-(trifluoromethyl)benzonitrile
CID 171024635
2-(bromomethyl)-1-[2-(bromomethyl)-3-nitrophenyl]-3-nitrobenzene
CID 19771317
4-(bromomethyl)-1-nitro-2-(trifluoromethyl)benzene
CID 119015946
2-(bromomethyl)-1-ethyl-3-nitrobenzene
CID 129096805
6-bromo-4-(bromomethyl)-3-nitroquinoline
CID 138454031
ethyl 3-nitro-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133096663
[5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118818553
2-(bromomethyl)-1-methyl-3-nitro-4-(trifluoromethyl)benzene
CID 131325567
[2,4-bis(trifluoromethyl)-3-pyridinyl]methanol
CID 131282988

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-nitro-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-(bromomethyl)-4-nitro-2-(trifluoromethyl)pyridine (CID 131526162) is 3-(bromomethyl)-4-nitro-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(bromomethyl)-4-nitro-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(bromomethyl)-4-nitro-2-(trifluoromethyl)pyridine is O=[N+]([O-])c1ccnc(C(F)(F)F)c1CBr.
What is the InChIKey of 3-(bromomethyl)-4-nitro-2-(trifluoromethyl)pyridine?
The InChIKey is NUEXMNIZYFWEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N2O2/c8-3-4-5(13(14)15)1-2-12-6(4)7(9,10)11/h1-2H,3H2.
What are the key properties of 3-(bromomethyl)-4-nitro-2-(trifluoromethyl)pyridine?
3-(bromomethyl)-4-nitro-2-(trifluoromethyl)pyridine has a molecular weight of 285.02 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-nitro-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 131526162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).