3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine

C7H4BrF3INO — CID 130092435

IUPAC3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1c(I)cncc1CBr
InChIInChI=1S/C7H4BrF3INO/c8-1-4-2-13-3-5(12)6(4)14-7(9,10)11/h2-3H,1H2
InChIKeyBPAGZFJXSWYRGO-UHFFFAOYSA-N
MW381.92 g/mol
LogP3.48
Rot. Bonds2

About 3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine

3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine (PubChem CID 130092435) has the molecular formula C7H4BrF3INO and a molecular weight of 381.92 g/mol. Its IUPAC name is 3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine
PubChem CID130092435
Molecular FormulaC7H4BrF3INO
Molecular Weight381.92 g/mol
Exact Mass380.85
IUPAC Name3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1c(I)cncc1CBr
InChIInChI=1S/C7H4BrF3INO/c8-1-4-2-13-3-5(12)6(4)14-7(9,10)11/h2-3H,1H2
InChIKeyBPAGZFJXSWYRGO-UHFFFAOYSA-N
XLogP3.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.92
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-iodo-4-(trifluoromethoxy)pyridin-3-amine
CID 130089023
[3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130113156
2-(bromomethyl)-3-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine
CID 134668841
3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130113208
4-(bromomethyl)-2-fluoro-3-(trifluoromethoxy)pyridine
CID 130092123
5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134660474
2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine
CID 119011660
2-[4-(bromomethyl)-6-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134661523
4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 134660867
[2-(bromomethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118843706
3-(bromomethyl)-2-(trifluoromethoxy)benzonitrile
CID 131412754
5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134667822

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine?
The IUPAC name of 3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine (CID 130092435) is 3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine is FC(F)(F)Oc1c(I)cncc1CBr.
What is the InChIKey of 3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine?
The InChIKey is BPAGZFJXSWYRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3INO/c8-1-4-2-13-3-5(12)6(4)14-7(9,10)11/h2-3H,1H2.
What are the key properties of 3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine?
3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine has a molecular weight of 381.92 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130092435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).