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

C8H4BrF5INO — CID 134660867

IUPAC4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
SMILESFC(F)c1cc(CBr)c(OC(F)(F)F)c(I)n1
InChIInChI=1S/C8H4BrF5INO/c9-2-3-1-4(6(10)11)16-7(15)5(3)17-8(12,13)14/h1,6H,2H2
InChIKeyQEPKYZIJLZKIPE-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.42
Rot. Bonds3

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

4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine (PubChem CID 134660867) has the molecular formula C8H4BrF5INO and a molecular weight of 431.92 g/mol. Its IUPAC name is 4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
PubChem CID134660867
Molecular FormulaC8H4BrF5INO
Molecular Weight431.92 g/mol
Exact Mass430.84
IUPAC Name4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
SMILESFC(F)c1cc(CBr)c(OC(F)(F)F)c(I)n1
InChIInChI=1S/C8H4BrF5INO/c9-2-3-1-4(6(10)11)16-7(15)5(3)17-8(12,13)14/h1,6H,2H2
InChIKeyQEPKYZIJLZKIPE-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

6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 134668844
6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134666314
2-[4-(bromomethyl)-6-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134661523
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
CID 119011988
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine
CID 134668892
6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134681331
[3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol
CID 130087148
2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670201
2-(bromomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118843950
4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine
CID 119010652
2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine
CID 118838243
4-(chloromethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134671147

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine (CID 134660867) is 4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine is FC(F)c1cc(CBr)c(OC(F)(F)F)c(I)n1.
What is the InChIKey of 4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine?
The InChIKey is QEPKYZIJLZKIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF5INO/c9-2-3-1-4(6(10)11)16-7(15)5(3)17-8(12,13)14/h1,6H,2H2.
What are the key properties of 4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine?
4-(bromomethyl)-6-(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 4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134660867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).