4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol

C8H4BrF6NO2 — CID 134665598

IUPAC4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol
SMILESOc1c(C(F)(F)F)ncc(OC(F)(F)F)c1CBr
InChIInChI=1S/C8H4BrF6NO2/c9-1-3-4(18-8(13,14)15)2-16-6(5(3)17)7(10,11)12/h2,17H,1H2
InChIKeySKVZKZHSSYMVAG-UHFFFAOYSA-N
MW340.02 g/mol
LogP3.60
Rot. Bonds2

About 4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol

4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol (PubChem CID 134665598) has the molecular formula C8H4BrF6NO2 and a molecular weight of 340.02 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol
PubChem CID134665598
Molecular FormulaC8H4BrF6NO2
Molecular Weight340.02 g/mol
Exact Mass338.93
IUPAC Name4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol
SMILESOc1c(C(F)(F)F)ncc(OC(F)(F)F)c1CBr
InChIInChI=1S/C8H4BrF6NO2/c9-1-3-4(18-8(13,14)15)2-16-6(5(3)17)7(10,11)12/h2,17H,1H2
InChIKeySKVZKZHSSYMVAG-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(bromomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanol
CID 134672615
3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134667272
2-[5-(bromomethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134663717
4-(bromomethyl)-3-fluoro-5-(trifluoromethoxy)pyridine
CID 130092126
methyl 4-(bromomethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134681050
2-[4-(chloromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 134671106
2-(aminomethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118825651
3-(bromomethyl)-4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine
CID 130113335
4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134670036
2-(bromomethyl)-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 134678331
3-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134669334
4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 118839758

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol (CID 134665598) is 4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol is Oc1c(C(F)(F)F)ncc(OC(F)(F)F)c1CBr.
What is the InChIKey of 4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol?
The InChIKey is SKVZKZHSSYMVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF6NO2/c9-1-3-4(18-8(13,14)15)2-16-6(5(3)17)7(10,11)12/h2,17H,1H2.
What are the key properties of 4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol?
4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol has a molecular weight of 340.02 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 134665598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).