2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine

C8H6BrF3N2O4 — CID 118827165

IUPAC2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine
SMILESCOc1nc(CBr)c(OC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H6BrF3N2O4/c1-17-7-5(14(15)16)2-6(4(3-9)13-7)18-8(10,11)12/h2H,3H2,1H3
InChIKeyORWJGGCTKLLJBU-UHFFFAOYSA-N
MW331.04 g/mol
LogP2.79
Rot. Bonds4

About 2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine

2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine (PubChem CID 118827165) has the molecular formula C8H6BrF3N2O4 and a molecular weight of 331.04 g/mol. Its IUPAC name is 2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine
PubChem CID118827165
Molecular FormulaC8H6BrF3N2O4
Molecular Weight331.04 g/mol
Exact Mass329.95
IUPAC Name2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine
SMILESCOc1nc(CBr)c(OC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H6BrF3N2O4/c1-17-7-5(14(15)16)2-6(4(3-9)13-7)18-8(10,11)12/h2H,3H2,1H3
InChIKeyORWJGGCTKLLJBU-UHFFFAOYSA-N
XLogP2.79
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.04
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze 2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine
CID 134660726
2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
CID 118826966
2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118821393
2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134664936
2-bromo-3,6-dimethoxy-5-nitropyridine
CID 172541269
6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134677984
2-[2-methoxy-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666404
[6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134677932
6-(bromomethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-amine
CID 119004935
2-[5-methoxy-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134670332
2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134660080
[5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134678877

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine (CID 118827165) is 2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine is COc1nc(CBr)c(OC(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine?
The InChIKey is ORWJGGCTKLLJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3N2O4/c1-17-7-5(14(15)16)2-6(4(3-9)13-7)18-8(10,11)12/h2H,3H2,1H3.
What are the key properties of 2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine?
2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine has a molecular weight of 331.04 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118827165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).