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

C8H7BrF3NO — CID 104800606

IUPAC(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](Cc1ccc(Br)cn1)C(F)(F)F
InChIInChI=1S/C8H7BrF3NO/c9-5-1-2-6(13-4-5)3-7(14)8(10,11)12/h1-2,4,7,14H,3H2/t7-/m0/s1
InChIKeyDZYMHUAUYNFDAV-ZETCQYMHSA-N
MW270.05 g/mol
LogP2.31
Rot. Bonds2

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

(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 104800606) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is (2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
PubChem CID104800606
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](Cc1ccc(Br)cn1)C(F)(F)F
InChIInChI=1S/C8H7BrF3NO/c9-5-1-2-6(13-4-5)3-7(14)8(10,11)12/h1-2,4,7,14H,3H2/t7-/m0/s1
InChIKeyDZYMHUAUYNFDAV-ZETCQYMHSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105036466
1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 104800312
3-(5-bromo-2-pyridinyl)-2-hydroxypropanal
CID 104802202
1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine
CID 104803305
3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
CID 25146473
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662
1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312276
2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol
CID 104802318
2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol
CID 104800488
1-(5-bromo-2-pyridinyl)hexane-2,3-diol
CID 103454775
1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol (CID 104800606) is (2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol is O[C@@H](Cc1ccc(Br)cn1)C(F)(F)F.
What is the InChIKey of (2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is DZYMHUAUYNFDAV-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c9-5-1-2-6(13-4-5)3-7(14)8(10,11)12/h1-2,4,7,14H,3H2/t7-/m0/s1.
What are the key properties of (2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol?
(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 270.05 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 104800606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).