[5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol

C7H5BrF3NO — CID 118989405

IUPAC[5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cc(Br)cnc1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c8-5-1-4(3-13)6(12-2-5)7(9,10)11/h1-2,13H,3H2
InChIKeyKOKOPCMHMVIZBT-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.36
Rot. Bonds1

About [5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol

[5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 118989405) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is [5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID118989405
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name[5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cc(Br)cnc1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c8-5-1-4(3-13)6(12-2-5)7(9,10)11/h1-2,13H,3H2
InChIKeyKOKOPCMHMVIZBT-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol (CID 118989405) is [5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol is OCc1cc(Br)cnc1C(F)(F)F.
What is the InChIKey of [5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is KOKOPCMHMVIZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-5-1-4(3-13)6(12-2-5)7(9,10)11/h1-2,13H,3H2.
What are the key properties of [5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol?
[5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 256.02 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118989405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).