2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine

C8H6BrF3INO2 — CID 118826924

IUPAC2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine
SMILESCOc1c(OC(F)(F)F)cc(I)nc1CBr
InChIInChI=1S/C8H6BrF3INO2/c1-15-7-4(3-9)14-6(13)2-5(7)16-8(10,11)12/h2H,3H2,1H3
InChIKeyNJIAYXIMIMJEKP-UHFFFAOYSA-N
MW411.94 g/mol
LogP3.49
Rot. Bonds3

About 2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine

2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine (PubChem CID 118826924) has the molecular formula C8H6BrF3INO2 and a molecular weight of 411.94 g/mol. Its IUPAC name is 2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine
PubChem CID118826924
Molecular FormulaC8H6BrF3INO2
Molecular Weight411.94 g/mol
Exact Mass410.86
IUPAC Name2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine
SMILESCOc1c(OC(F)(F)F)cc(I)nc1CBr
InChIInChI=1S/C8H6BrF3INO2/c1-15-7-4(3-9)14-6(13)2-5(7)16-8(10,11)12/h2H,3H2,1H3
InChIKeyNJIAYXIMIMJEKP-UHFFFAOYSA-N
XLogP3.49
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-(bromomethyl)-3-iodo-4-methoxy-5-(trifluoromethoxy)pyridine
CID 118815700
6-(bromomethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665153
6-iodo-2-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 129319241
2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
CID 118826966
[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666113
ethyl 2-[6-iodo-4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134661495
methyl 3-(bromomethyl)-6-iodo-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134662859
2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine
CID 118838243
methyl 2-[2-(fluoromethyl)-6-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134665564
2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118821393
[6-iodo-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134680765
ethyl 2-(bromomethyl)-6-iodo-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665879

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine (CID 118826924) is 2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine is COc1c(OC(F)(F)F)cc(I)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine?
The InChIKey is NJIAYXIMIMJEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3INO2/c1-15-7-4(3-9)14-6(13)2-5(7)16-8(10,11)12/h2H,3H2,1H3.
What are the key properties of 2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine?
2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine has a molecular weight of 411.94 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118826924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).