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

C8H4BrF5IN — CID 130087013

IUPAC3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine
SMILESFC(F)c1nc(I)cc(C(F)(F)F)c1CBr
InChIInChI=1S/C8H4BrF5IN/c9-2-3-4(8(12,13)14)1-5(15)16-6(3)7(10)11/h1,7H,2H2
InChIKeyIPDOKGXXQOREAV-UHFFFAOYSA-N
MW415.93 g/mol
LogP4.54
Rot. Bonds2

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

3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine (PubChem CID 130087013) has the molecular formula C8H4BrF5IN and a molecular weight of 415.93 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine
PubChem CID130087013
Molecular FormulaC8H4BrF5IN
Molecular Weight415.93 g/mol
Exact Mass414.85
IUPAC Name3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine
SMILESFC(F)c1nc(I)cc(C(F)(F)F)c1CBr
InChIInChI=1S/C8H4BrF5IN/c9-2-3-4(8(12,13)14)1-5(15)16-6(3)7(10)11/h1,7H,2H2
InChIKeyIPDOKGXXQOREAV-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': '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

5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 130107066
3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine
CID 130105324
5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine
CID 130087042
methyl 2-[3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
CID 133100621
4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine
CID 130086025
6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 134668697
5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130075134
3-(bromomethyl)-4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130075107
5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
CID 118999966
3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine
CID 130080016
2-[3-(difluoromethyl)-6-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133100106
4-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 130087240

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine (CID 130087013) is 3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine is FC(F)c1nc(I)cc(C(F)(F)F)c1CBr.
What is the InChIKey of 3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine?
The InChIKey is IPDOKGXXQOREAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF5IN/c9-2-3-4(8(12,13)14)1-5(15)16-6(3)7(10)11/h1,7H,2H2.
What are the key properties of 3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine?
3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(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 3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 130087013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).