3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol

C9H10BrF3N2O — CID 106796928

IUPAC3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol
SMILESNCC(CO)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H10BrF3N2O/c10-6-1-7(9(11,12)13)8(15-3-6)5(2-14)4-16/h1,3,5,16H,2,4,14H2
InChIKeySCNPTBNGLBBTQA-UHFFFAOYSA-N
MW299.09 g/mol
LogP1.90
Rot. Bonds3

About 3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol

3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol (PubChem CID 106796928) has the molecular formula C9H10BrF3N2O and a molecular weight of 299.09 g/mol. Its IUPAC name is 3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol
PubChem CID106796928
Molecular FormulaC9H10BrF3N2O
Molecular Weight299.09 g/mol
Exact Mass297.99
IUPAC Name3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol
SMILESNCC(CO)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H10BrF3N2O/c10-6-1-7(9(11,12)13)8(15-3-6)5(2-14)4-16/h1,3,5,16H,2,4,14H2
InChIKeySCNPTBNGLBBTQA-UHFFFAOYSA-N
XLogP1.90
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid
CID 90900248
2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid
CID 106797344
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
CID 106796826
2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol
CID 134489175
(2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol
CID 131139047
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 106796775
5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine
CID 134128575
2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
CID 106796783
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 106795831
3-bromo-5-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 106796476
[5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118989405
3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol
CID 104733799

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol?
The IUPAC name of 3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol (CID 106796928) is 3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol is NCC(CO)c1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol?
The InChIKey is SCNPTBNGLBBTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O/c10-6-1-7(9(11,12)13)8(15-3-6)5(2-14)4-16/h1,3,5,16H,2,4,14H2.
What are the key properties of 3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol?
3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol has a molecular weight of 299.09 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 106796928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).