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

C7H5BrF3NO — CID 131118032

IUPAC5-(bromomethyl)-4-(trifluoromethyl)pyridin-3-ol
SMILESOc1cncc(CBr)c1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c8-1-4-2-12-3-5(13)6(4)7(9,10)11/h2-3,13H,1H2
InChIKeyJILFXLNGYNBVRF-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.70
Rot. Bonds1

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

5-(bromomethyl)-4-(trifluoromethyl)pyridin-3-ol (PubChem CID 131118032) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 5-(bromomethyl)-4-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name5-(bromomethyl)-4-(trifluoromethyl)pyridin-3-ol
PubChem CID131118032
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name5-(bromomethyl)-4-(trifluoromethyl)pyridin-3-ol
SMILESOc1cncc(CBr)c1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c8-1-4-2-12-3-5(13)6(4)7(9,10)11/h2-3,13H,1H2
InChIKeyJILFXLNGYNBVRF-UHFFFAOYSA-N
XLogP2.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 5-(bromomethyl)-4-(trifluoromethyl)pyridin-3-ol (CID 131118032) is 5-(bromomethyl)-4-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 5-(bromomethyl)-4-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 5-(bromomethyl)-4-(trifluoromethyl)pyridin-3-ol is Oc1cncc(CBr)c1C(F)(F)F.
What is the InChIKey of 5-(bromomethyl)-4-(trifluoromethyl)pyridin-3-ol?
The InChIKey is JILFXLNGYNBVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-1-4-2-12-3-5(13)6(4)7(9,10)11/h2-3,13H,1H2.
What are the key properties of 5-(bromomethyl)-4-(trifluoromethyl)pyridin-3-ol?
5-(bromomethyl)-4-(trifluoromethyl)pyridin-3-ol has a molecular weight of 256.02 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 131118032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).