5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine

C7H2BrF5IN — CID 134670864

IUPAC5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine
SMILESFC(F)c1ncc(Br)c(I)c1C(F)(F)F
InChIInChI=1S/C7H2BrF5IN/c8-2-1-15-5(6(9)10)3(4(2)14)7(11,12)13/h1,6H
InChIKeySNCQMANIJSXEAR-UHFFFAOYSA-N
MW401.90 g/mol
LogP4.41
Rot. Bonds1

About 5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine

5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine (PubChem CID 134670864) has the molecular formula C7H2BrF5IN and a molecular weight of 401.90 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine
PubChem CID134670864
Molecular FormulaC7H2BrF5IN
Molecular Weight401.90 g/mol
Exact Mass400.83
IUPAC Name5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine
SMILESFC(F)c1ncc(Br)c(I)c1C(F)(F)F
InChIInChI=1S/C7H2BrF5IN/c8-2-1-15-5(6(9)10)3(4(2)14)7(11,12)13/h1,6H
InChIKeySNCQMANIJSXEAR-UHFFFAOYSA-N
XLogP4.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118817041
5-bromo-4-chloro-2-(difluoromethyl)-3-iodopyridine
CID 130107883
4-bromo-2-(difluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118811379
4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine
CID 118806198
2-[5-bromo-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 130068353
ethyl 2-[5-bromo-2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 134685359
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine
CID 130087396
2-[5-bromo-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 130068482
4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine
CID 130082133
2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine
CID 118812353
2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134676275
2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine
CID 130096758

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine (CID 134670864) is 5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine is FC(F)c1ncc(Br)c(I)c1C(F)(F)F.
What is the InChIKey of 5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine?
The InChIKey is SNCQMANIJSXEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF5IN/c8-2-1-15-5(6(9)10)3(4(2)14)7(11,12)13/h1,6H.
What are the key properties of 5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine?
5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine has a molecular weight of 401.90 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134670864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).