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

C8H4BrF5INO — CID 134668844

IUPAC6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
SMILESFC(F)c1cc(CBr)nc(I)c1OC(F)(F)F
InChIInChI=1S/C8H4BrF5INO/c9-2-3-1-4(6(10)11)5(7(15)16-3)17-8(12,13)14/h1,6H,2H2
InChIKeyXKCSKSFHEPLKGO-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.42
Rot. Bonds3

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

6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine (PubChem CID 134668844) has the molecular formula C8H4BrF5INO and a molecular weight of 431.92 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
PubChem CID134668844
Molecular FormulaC8H4BrF5INO
Molecular Weight431.92 g/mol
Exact Mass430.84
IUPAC Name6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
SMILESFC(F)c1cc(CBr)nc(I)c1OC(F)(F)F
InChIInChI=1S/C8H4BrF5INO/c9-2-3-1-4(6(10)11)5(7(15)16-3)17-8(12,13)14/h1,6H,2H2
InChIKeyXKCSKSFHEPLKGO-UHFFFAOYSA-N
XLogP4.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.42
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

4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 134660867
6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
CID 130086999
2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118838270
4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
CID 118823728
6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118826916
2-[4-(bromomethyl)-6-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134661523
6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665188
6-(bromomethyl)-2-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134667695
6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134670040
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134661368
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118852040
6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080004

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine?
The IUPAC name of 6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine (CID 134668844) is 6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine is FC(F)c1cc(CBr)nc(I)c1OC(F)(F)F.
What is the InChIKey of 6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine?
The InChIKey is XKCSKSFHEPLKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF5INO/c9-2-3-1-4(6(10)11)5(7(15)16-3)17-8(12,13)14/h1,6H,2H2.
What are the key properties of 6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine?
6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine has a molecular weight of 431.92 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134668844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).