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

C8H6BrF3INO — CID 130112748

IUPAC3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)nc(I)c1CBr
InChIInChI=1S/C8H6BrF3INO/c1-4-2-6(15-8(10,11)12)14-7(13)5(4)3-9/h2H,3H2,1H3
InChIKeyDWBVVIRSCOBGEA-UHFFFAOYSA-N
MW395.94 g/mol
LogP3.79
Rot. Bonds2

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

3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine (PubChem CID 130112748) has the molecular formula C8H6BrF3INO and a molecular weight of 395.94 g/mol. Its IUPAC name is 3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
PubChem CID130112748
Molecular FormulaC8H6BrF3INO
Molecular Weight395.94 g/mol
Exact Mass394.86
IUPAC Name3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)nc(I)c1CBr
InChIInChI=1S/C8H6BrF3INO/c1-4-2-6(15-8(10,11)12)14-7(13)5(4)3-9/h2H,3H2,1H3
InChIKeyDWBVVIRSCOBGEA-UHFFFAOYSA-N
XLogP3.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
CID 130112791
3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine
CID 130113330
3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 131601200
[2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131266022
3-bromo-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 119020338
2,4-diiodo-6-(trifluoromethoxy)pyridin-3-amine
CID 131214175
2-[2-(chloromethyl)-4-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118827115
[2-iodo-4-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134660047
ethyl 2-[2-(bromomethyl)-4-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659026
[3-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134679011
2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 133085515
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine?
The IUPAC name of 3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine (CID 130112748) is 3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine is Cc1cc(OC(F)(F)F)nc(I)c1CBr.
What is the InChIKey of 3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine?
The InChIKey is DWBVVIRSCOBGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3INO/c1-4-2-6(15-8(10,11)12)14-7(13)5(4)3-9/h2H,3H2,1H3.
What are the key properties of 3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine?
3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine has a molecular weight of 395.94 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130112748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).