[6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol

C8H4BrF6NO2 — CID 133087725

IUPAC[6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1nc(Br)cc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H4BrF6NO2/c9-5-1-3(7(10,11)12)6(4(2-17)16-5)18-8(13,14)15/h1,17H,2H2
InChIKeyROQXNGWNIDUWDP-UHFFFAOYSA-N
MW340.02 g/mol
LogP3.25
Rot. Bonds2

About [6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol

[6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 133087725) has the molecular formula C8H4BrF6NO2 and a molecular weight of 340.02 g/mol. Its IUPAC name is [6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID133087725
Molecular FormulaC8H4BrF6NO2
Molecular Weight340.02 g/mol
Exact Mass338.93
IUPAC Name[6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1nc(Br)cc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H4BrF6NO2/c9-5-1-3(7(10,11)12)6(4(2-17)16-5)18-8(13,14)15/h1,17H,2H2
InChIKeyROQXNGWNIDUWDP-UHFFFAOYSA-N
XLogP3.25
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.02
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134668453
[4-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134668178
[6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118831104
[4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118812946
[4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 134669917
[4-amino-6-(fluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118811822
[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol
CID 130068890
2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131411382
6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 118804467
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 130070180
[6-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118849345
[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 134671563

Frequently Asked Questions

What is the IUPAC name of [6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol (CID 133087725) is [6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol is OCc1nc(Br)cc(C(F)(F)F)c1OC(F)(F)F.
What is the InChIKey of [6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is ROQXNGWNIDUWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF6NO2/c9-5-1-3(7(10,11)12)6(4(2-17)16-5)18-8(13,14)15/h1,17H,2H2.
What are the key properties of [6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol?
[6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 340.02 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 133087725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).