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

C9H7BrF5NO2 — CID 134671632

IUPAC[2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESOCc1cc(OC(F)(F)F)nc(CBr)c1C(F)F
InChIInChI=1S/C9H7BrF5NO2/c10-2-5-7(8(11)12)4(3-17)1-6(16-5)18-9(13,14)15/h1,8,17H,2-3H2
InChIKeyZFNDYIROBJVXLU-UHFFFAOYSA-N
MW336.05 g/mol
LogP3.31
Rot. Bonds4

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

[2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol (PubChem CID 134671632) has the molecular formula C9H7BrF5NO2 and a molecular weight of 336.05 g/mol. Its IUPAC name is [2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol
PubChem CID134671632
Molecular FormulaC9H7BrF5NO2
Molecular Weight336.05 g/mol
Exact Mass334.96
IUPAC Name[2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESOCc1cc(OC(F)(F)F)nc(CBr)c1C(F)F
InChIInChI=1S/C9H7BrF5NO2/c10-2-5-7(8(11)12)4(3-17)1-6(16-5)18-9(13,14)15/h1,8,17H,2-3H2
InChIKeyZFNDYIROBJVXLU-UHFFFAOYSA-N
XLogP3.31
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.05
LogP ≤ 53.31
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-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol
CID 130081815
4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine
CID 119018569
ethyl 2-[4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134673151
[4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 134668935
[3-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134679011
2-[4-(aminomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134672739
2-(bromomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134682392
2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134670039
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine
CID 134668892
3-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134665192
[3-methoxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134663125
2-[2-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118843848

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol?
The IUPAC name of [2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol (CID 134671632) is [2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol?
The canonical SMILES for [2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol is OCc1cc(OC(F)(F)F)nc(CBr)c1C(F)F.
What is the InChIKey of [2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol?
The InChIKey is ZFNDYIROBJVXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF5NO2/c10-2-5-7(8(11)12)4(3-17)1-6(16-5)18-9(13,14)15/h1,8,17H,2-3H2.
What are the key properties of [2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol?
[2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol has a molecular weight of 336.05 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 134671632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).