[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol

C9H6BrF6NO2 — CID 134671563

IUPAC[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(CBr)c(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H6BrF6NO2/c10-1-4-2-17-5(3-18)7(19-9(14,15)16)6(4)8(11,12)13/h2,18H,1,3H2
InChIKeyYERFUQFRSNYRAV-UHFFFAOYSA-N
MW354.04 g/mol
LogP3.39
Rot. Bonds3

About [5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol

[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 134671563) has the molecular formula C9H6BrF6NO2 and a molecular weight of 354.04 g/mol. Its IUPAC name is [5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID134671563
Molecular FormulaC9H6BrF6NO2
Molecular Weight354.04 g/mol
Exact Mass352.95
IUPAC Name[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(CBr)c(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H6BrF6NO2/c10-1-4-2-17-5(3-18)7(19-9(14,15)16)6(4)8(11,12)13/h2,18H,1,3H2
InChIKeyYERFUQFRSNYRAV-UHFFFAOYSA-N
XLogP3.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.04
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134682906
methyl 5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134663702
5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134667822
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134667801
5-(fluoromethyl)-2-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol
CID 134677273
[3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130113156
[4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 134668935
[2-(bromomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanol
CID 134672615
[4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 134669917
6-(bromomethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134672645
5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134660474
[5-(bromomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134661940

Frequently Asked Questions

What is the IUPAC name of [5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol (CID 134671563) is [5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol is OCc1ncc(CBr)c(C(F)(F)F)c1OC(F)(F)F.
What is the InChIKey of [5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is YERFUQFRSNYRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF6NO2/c10-1-4-2-17-5(3-18)7(19-9(14,15)16)6(4)8(11,12)13/h2,18H,1,3H2.
What are the key properties of [5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol?
[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 354.04 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 134671563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).