6-(bromomethyl)-2-iodo-3-(trifluoromethyl)pyridine

C7H4BrF3IN — CID 131074199

IUPAC6-(bromomethyl)-2-iodo-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(CBr)nc1I
InChIInChI=1S/C7H4BrF3IN/c8-3-4-1-2-5(6(12)13-4)7(9,10)11/h1-2H,3H2
InChIKeyXNKQCJFIBVGWDY-UHFFFAOYSA-N
MW365.92 g/mol
LogP3.60
Rot. Bonds1

About 6-(bromomethyl)-2-iodo-3-(trifluoromethyl)pyridine

6-(bromomethyl)-2-iodo-3-(trifluoromethyl)pyridine (PubChem CID 131074199) has the molecular formula C7H4BrF3IN and a molecular weight of 365.92 g/mol. Its IUPAC name is 6-(bromomethyl)-2-iodo-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-(bromomethyl)-2-iodo-3-(trifluoromethyl)pyridine
PubChem CID131074199
Molecular FormulaC7H4BrF3IN
Molecular Weight365.92 g/mol
Exact Mass364.85
IUPAC Name6-(bromomethyl)-2-iodo-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(CBr)nc1I
InChIInChI=1S/C7H4BrF3IN/c8-3-4-1-2-5(6(12)13-4)7(9,10)11/h1-2H,3H2
InChIKeyXNKQCJFIBVGWDY-UHFFFAOYSA-N
XLogP3.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.92
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 134668697
6-(difluoromethyl)-2-iodo-3-(trifluoromethyl)pyridine
CID 130096769
5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine
CID 130087042
2-(bromomethyl)-6-iodopyridine
CID 119084296
6-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
CID 130881025
4-(bromomethyl)-1-iodo-2-(trifluoromethyl)benzene
CID 98041510
2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene
CID 134623922
2-[6-bromo-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 119004648
[6-amino-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 119001294
1-(bromomethyl)-2-iodo-4,5-bis(trifluoromethyl)benzene
CID 134638408
6-(bromomethyl)-2-fluoropyridin-3-ol
CID 130883573
6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 134668844

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-iodo-3-(trifluoromethyl)pyridine?
The IUPAC name of 6-(bromomethyl)-2-iodo-3-(trifluoromethyl)pyridine (CID 131074199) is 6-(bromomethyl)-2-iodo-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-(bromomethyl)-2-iodo-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-(bromomethyl)-2-iodo-3-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(CBr)nc1I.
What is the InChIKey of 6-(bromomethyl)-2-iodo-3-(trifluoromethyl)pyridine?
The InChIKey is XNKQCJFIBVGWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3IN/c8-3-4-1-2-5(6(12)13-4)7(9,10)11/h1-2H,3H2.
What are the key properties of 6-(bromomethyl)-2-iodo-3-(trifluoromethyl)pyridine?
6-(bromomethyl)-2-iodo-3-(trifluoromethyl)pyridine has a molecular weight of 365.92 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-iodo-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 131074199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).