6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine

C8H4BrF5IN — CID 130086999

IUPAC6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(CBr)nc(C(F)(F)F)c1I
InChIInChI=1S/C8H4BrF5IN/c9-2-3-1-4(7(10)11)5(15)6(16-3)8(12,13)14/h1,7H,2H2
InChIKeyWRXAYRANYFJNPA-UHFFFAOYSA-N
MW415.93 g/mol
LogP4.54
Rot. Bonds2

About 6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine

6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine (PubChem CID 130086999) has the molecular formula C8H4BrF5IN and a molecular weight of 415.93 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
PubChem CID130086999
Molecular FormulaC8H4BrF5IN
Molecular Weight415.93 g/mol
Exact Mass414.85
IUPAC Name6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(CBr)nc(C(F)(F)F)c1I
InChIInChI=1S/C8H4BrF5IN/c9-2-3-1-4(7(10)11)5(15)6(16-3)8(12,13)14/h1,7H,2H2
InChIKeyWRXAYRANYFJNPA-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine
CID 130087022
6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 134668844
[6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086829
[4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 118829480
6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084808
[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086828
5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 134661690
[6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 130069997
[5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130081564
6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine
CID 130080047
4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106992
2-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118855153

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine?
The IUPAC name of 6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine (CID 130086999) is 6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine?
The canonical SMILES for 6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine is FC(F)c1cc(CBr)nc(C(F)(F)F)c1I.
What is the InChIKey of 6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine?
The InChIKey is WRXAYRANYFJNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF5IN/c9-2-3-1-4(7(10)11)5(15)6(16-3)8(12,13)14/h1,7H,2H2.
What are the key properties of 6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine?
6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine has a molecular weight of 415.93 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 130086999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).