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

C9H6BrF6NO2 — CID 134668935

IUPAC[4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1nc(OC(F)(F)F)cc(CBr)c1C(F)(F)F
InChIInChI=1S/C9H6BrF6NO2/c10-2-4-1-6(19-9(14,15)16)17-5(3-18)7(4)8(11,12)13/h1,18H,2-3H2
InChIKeyCZGZILFZJUASAZ-UHFFFAOYSA-N
MW354.04 g/mol
LogP3.39
Rot. Bonds3

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

[4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 134668935) has the molecular formula C9H6BrF6NO2 and a molecular weight of 354.04 g/mol. Its IUPAC name is [4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID134668935
Molecular FormulaC9H6BrF6NO2
Molecular Weight354.04 g/mol
Exact Mass352.95
IUPAC Name[4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1nc(OC(F)(F)F)cc(CBr)c1C(F)(F)F
InChIInChI=1S/C9H6BrF6NO2/c10-2-4-1-6(19-9(14,15)16)17-5(3-18)7(4)8(11,12)13/h1,18H,2-3H2
InChIKeyCZGZILFZJUASAZ-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

2-[2-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118843848
[3-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134679011
[2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134671632
2-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118815703
2-(bromomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134682392
[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 134671563
[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118807357
4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 118811553
2-[4-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671599
methyl 4-(bromomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134678483
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine
CID 134668892
[3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134670747

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol (CID 134668935) is [4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol is OCc1nc(OC(F)(F)F)cc(CBr)c1C(F)(F)F.
What is the InChIKey of [4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is CZGZILFZJUASAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF6NO2/c10-2-4-1-6(19-9(14,15)16)17-5(3-18)7(4)8(11,12)13/h1,18H,2-3H2.
What are the key properties of [4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol?
[4-(bromomethyl)-6-(trifluoromethoxy)-3-(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 [4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 134668935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).