1-(5-bromo-2-pyridinyl)-3,3,3-trifluoropropan-1-ol

C8H7BrF3NO — CID 137407320

IUPAC1-(5-bromo-2-pyridinyl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)c1ccc(Br)cn1
InChIInChI=1S/C8H7BrF3NO/c9-5-1-2-6(13-4-5)7(14)3-8(10,11)12/h1-2,4,7,14H,3H2
InChIKeyOQMJHRAZFDHLOP-UHFFFAOYSA-N
MW270.05 g/mol
LogP2.83
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-3,3,3-trifluoropropan-1-ol

1-(5-bromo-2-pyridinyl)-3,3,3-trifluoropropan-1-ol (PubChem CID 137407320) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3,3,3-trifluoropropan-1-ol
PubChem CID137407320
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name1-(5-bromo-2-pyridinyl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)c1ccc(Br)cn1
InChIInChI=1S/C8H7BrF3NO/c9-5-1-2-6(13-4-5)7(14)3-8(10,11)12/h1-2,4,7,14H,3H2
InChIKeyOQMJHRAZFDHLOP-UHFFFAOYSA-N
XLogP2.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3,3,3-trifluoropropan-1-ol (CID 137407320) is 1-(5-bromo-2-pyridinyl)-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3,3,3-trifluoropropan-1-ol is OC(CC(F)(F)F)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3,3,3-trifluoropropan-1-ol?
The InChIKey is OQMJHRAZFDHLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c9-5-1-2-6(13-4-5)7(14)3-8(10,11)12/h1-2,4,7,14H,3H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3,3,3-trifluoropropan-1-ol?
1-(5-bromo-2-pyridinyl)-3,3,3-trifluoropropan-1-ol has a molecular weight of 270.05 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 137407320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).