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

C8H7BrF3NO — CID 104800052

IUPAC3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1cncc(Br)c1)C(F)(F)F
InChIInChI=1S/C8H7BrF3NO/c9-6-1-5(3-13-4-6)2-7(14)8(10,11)12/h1,3-4,7,14H,2H2
InChIKeyWICVNXLRPIRFGC-UHFFFAOYSA-N
MW270.05 g/mol
LogP2.31
Rot. Bonds2

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

3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 104800052) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
PubChem CID104800052
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1cncc(Br)c1)C(F)(F)F
InChIInChI=1S/C8H7BrF3NO/c9-6-1-5(3-13-4-6)2-7(14)8(10,11)12/h1,3-4,7,14H,2H2
InChIKeyWICVNXLRPIRFGC-UHFFFAOYSA-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

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

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Related Compounds

1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol
CID 116713811
1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312277
(2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid
CID 124595657
(1R)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethanol
CID 86335057
2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol
CID 115833331
1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 104800255
3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
CID 25146473
2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 104801909
2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol
CID 104813158
4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol
CID 104802664
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine
CID 130589548

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol (CID 104800052) is 3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol is OC(Cc1cncc(Br)c1)C(F)(F)F.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is WICVNXLRPIRFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c9-6-1-5(3-13-4-6)2-7(14)8(10,11)12/h1,3-4,7,14H,2H2.
What are the key properties of 3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol?
3-(5-bromo-3-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 3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 104800052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).