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

C8H4BrF5IN — CID 130087042

IUPAC5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine
SMILESFC(F)c1nc(I)c(CBr)cc1C(F)(F)F
InChIInChI=1S/C8H4BrF5IN/c9-2-3-1-4(8(12,13)14)5(6(10)11)16-7(3)15/h1,6H,2H2
InChIKeyFNMVGEHNATVFRW-UHFFFAOYSA-N
MW415.93 g/mol
LogP4.54
Rot. Bonds2

About 5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine

5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine (PubChem CID 130087042) has the molecular formula C8H4BrF5IN and a molecular weight of 415.93 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine
PubChem CID130087042
Molecular FormulaC8H4BrF5IN
Molecular Weight415.93 g/mol
Exact Mass414.85
IUPAC Name5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine
SMILESFC(F)c1nc(I)c(CBr)cc1C(F)(F)F
InChIInChI=1S/C8H4BrF5IN/c9-2-3-1-4(8(12,13)14)5(6(10)11)16-7(3)15/h1,6H,2H2
InChIKeyFNMVGEHNATVFRW-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

3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine
CID 130087022
3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106766
5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130075134
3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine
CID 130087013
5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine
CID 130068256
2-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridin-3-ol
CID 118825956
2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118815881
1-(bromomethyl)-2-iodo-4,5-bis(trifluoromethyl)benzene
CID 134638408
6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 134668697
5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 130077346
2,3-dibromo-6-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 134683525
5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 130107066

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine (CID 130087042) is 5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine is FC(F)c1nc(I)c(CBr)cc1C(F)(F)F.
What is the InChIKey of 5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine?
The InChIKey is FNMVGEHNATVFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF5IN/c9-2-3-1-4(8(12,13)14)5(6(10)11)16-7(3)15/h1,6H,2H2.
What are the key properties of 5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine?
5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(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 5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 130087042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).