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

C7H3BrF3IN2O3 — CID 134660726

IUPAC2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1cc(OC(F)(F)F)c(I)nc1CBr
InChIInChI=1S/C7H3BrF3IN2O3/c8-2-3-4(14(15)16)1-5(6(12)13-3)17-7(9,10)11/h1H,2H2
InChIKeyJPDKRUPKSRXEQI-UHFFFAOYSA-N
MW426.91 g/mol
LogP3.39
Rot. Bonds3

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

2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine (PubChem CID 134660726) has the molecular formula C7H3BrF3IN2O3 and a molecular weight of 426.91 g/mol. Its IUPAC name is 2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine
PubChem CID134660726
Molecular FormulaC7H3BrF3IN2O3
Molecular Weight426.91 g/mol
Exact Mass425.83
IUPAC Name2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1cc(OC(F)(F)F)c(I)nc1CBr
InChIInChI=1S/C7H3BrF3IN2O3/c8-2-3-4(14(15)16)1-5(6(12)13-3)17-7(9,10)11/h1H,2H2
InChIKeyJPDKRUPKSRXEQI-UHFFFAOYSA-N
XLogP3.39
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(bromomethyl)-6-iodo-3-nitro-5-(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-methoxy-5-nitro-3-(trifluoromethoxy)pyridine
CID 118827165
6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134660949
6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134666764
ethyl 2-(bromomethyl)-6-iodo-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665879
2-[3-iodo-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134678939
6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine
CID 134658939
[2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134678950
[2-iodo-4-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134660047
6-(chloromethyl)-2-iodo-3-nitro-4-(trifluoromethoxy)pyridine
CID 134681052
2-iodo-5-nitro-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679777
[2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666889
2-(bromomethyl)-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 134678331

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine (CID 134660726) is 2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine is O=[N+]([O-])c1cc(OC(F)(F)F)c(I)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine?
The InChIKey is JPDKRUPKSRXEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3IN2O3/c8-2-3-4(14(15)16)1-5(6(12)13-3)17-7(9,10)11/h1H,2H2.
What are the key properties of 2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine?
2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine has a molecular weight of 426.91 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134660726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).