4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol

C8H5BrF5NO2 — CID 134677098

IUPAC4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
SMILESOc1cnc(OC(F)(F)F)c(C(F)F)c1CBr
InChIInChI=1S/C8H5BrF5NO2/c9-1-3-4(16)2-15-7(5(3)6(10)11)17-8(12,13)14/h2,6,16H,1H2
InChIKeyVTUVEEBRYDSJLK-UHFFFAOYSA-N
MW322.03 g/mol
LogP3.52
Rot. Bonds3

About 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol

4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol (PubChem CID 134677098) has the molecular formula C8H5BrF5NO2 and a molecular weight of 322.03 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
PubChem CID134677098
Molecular FormulaC8H5BrF5NO2
Molecular Weight322.03 g/mol
Exact Mass320.94
IUPAC Name4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
SMILESOc1cnc(OC(F)(F)F)c(C(F)F)c1CBr
InChIInChI=1S/C8H5BrF5NO2/c9-1-3-4(16)2-15-7(5(3)6(10)11)17-8(12,13)14/h2,6,16H,1H2
InChIKeyVTUVEEBRYDSJLK-UHFFFAOYSA-N
XLogP3.52
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.03
LogP ≤ 53.52
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-[4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134663634
5-(bromomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134662816
4-(bromomethyl)-5-methoxy-6-(trifluoromethoxy)pyridin-3-ol
CID 130111742
5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine
CID 134662895
2-[4-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134659144
[5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134668063
5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134661099
4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
CID 130111744
4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134662832
ethyl 3-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134664441
methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134682211
2-[4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134660623

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol (CID 134677098) is 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol is Oc1cnc(OC(F)(F)F)c(C(F)F)c1CBr.
What is the InChIKey of 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is VTUVEEBRYDSJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF5NO2/c9-1-3-4(16)2-15-7(5(3)6(10)11)17-8(12,13)14/h2,6,16H,1H2.
What are the key properties of 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol?
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 322.03 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 134677098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).