3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine

C8H3BrF6INO — CID 134667272

IUPAC3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1cnc(I)c(CBr)c1C(F)(F)F
InChIInChI=1S/C8H3BrF6INO/c9-1-3-5(7(10,11)12)4(2-17-6(3)16)18-8(13,14)15/h2H,1H2
InChIKeyNAXHRDPAYJSQGA-UHFFFAOYSA-N
MW449.91 g/mol
LogP4.50
Rot. Bonds2

About 3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine

3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 134667272) has the molecular formula C8H3BrF6INO and a molecular weight of 449.91 g/mol. Its IUPAC name is 3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
PubChem CID134667272
Molecular FormulaC8H3BrF6INO
Molecular Weight449.91 g/mol
Exact Mass448.83
IUPAC Name3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1cnc(I)c(CBr)c1C(F)(F)F
InChIInChI=1S/C8H3BrF6INO/c9-1-3-5(7(10,11)12)4(2-17-6(3)16)18-8(13,14)15/h2H,1H2
InChIKeyNAXHRDPAYJSQGA-UHFFFAOYSA-N
XLogP4.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.91
LogP ≤ 54.50
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

2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 118810105
2-[3-(bromomethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134681279
[2-(bromomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanol
CID 134672615
4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol
CID 134665598
2-(bromomethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134671574
4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
CID 131612340
4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118804853
methyl 4-(bromomethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134681050
3-(bromomethyl)-4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine
CID 130113335
2-[3-(difluoromethyl)-2-iodo-5-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 134668097
[3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130113156
2-(bromomethyl)-3-iodo-4-methoxy-5-(trifluoromethoxy)pyridine
CID 118815700

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (CID 134667272) is 3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is FC(F)(F)Oc1cnc(I)c(CBr)c1C(F)(F)F.
What is the InChIKey of 3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is NAXHRDPAYJSQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF6INO/c9-1-3-5(7(10,11)12)4(2-17-6(3)16)18-8(13,14)15/h2H,1H2.
What are the key properties of 3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 449.91 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 134667272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).