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

C8H11BrN2O — CID 43500259

IUPAC1-[(5-bromo-2-pyridinyl)amino]propan-2-ol
SMILESCC(O)CNc1ccc(Br)cn1
InChIInChI=1S/C8H11BrN2O/c1-6(12)4-10-8-3-2-7(9)5-11-8/h2-3,5-6,12H,4H2,1H3,(H,10,11)
InChIKeyVXOMVBNGGWBEKZ-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.64
Rot. Bonds3

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

1-[(5-bromo-2-pyridinyl)amino]propan-2-ol (PubChem CID 43500259) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)amino]propan-2-ol
PubChem CID43500259
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name1-[(5-bromo-2-pyridinyl)amino]propan-2-ol
SMILESCC(O)CNc1ccc(Br)cn1
InChIInChI=1S/C8H11BrN2O/c1-6(12)4-10-8-3-2-7(9)5-11-8/h2-3,5-6,12H,4H2,1H3,(H,10,11)
InChIKeyVXOMVBNGGWBEKZ-UHFFFAOYSA-N
XLogP1.64
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(5-bromo-2-pyridinyl)amino]propan-2-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-Amino-5-bromopyridine
CID 70622
1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
2-Acetamido-5-bromopyridine
CID 293097
2-((Pyridin-2-yl)amino)ethan-1-ol
CID 420844
1-(5-Bromopyridin-2-yl)-3-butylurea
CID 2103155
N-(5-bromo-2-pyridinyl)pentanamide
CID 2292858
1-(3-Bromopyridin-2-yl)piperazine
CID 13298529
N-(5-bromopyridin-2-yl)propanamide
CID 774878
2-(2-Hydroxyethylamino)-pyridine hydrochloride
CID 2827516
2-((5-(Trifluoromethyl)pyridin-2-yl)amino)ethan-1-ol
CID 2986104
3-bromo-N-phenylpyridin-2-amine
CID 10610607
4-(5-Bromopyridin-2-yl)morpholine
CID 10966724

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)amino]propan-2-ol (CID 43500259) is 1-[(5-bromo-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)amino]propan-2-ol is CC(O)CNc1ccc(Br)cn1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)amino]propan-2-ol?
The InChIKey is VXOMVBNGGWBEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-6(12)4-10-8-3-2-7(9)5-11-8/h2-3,5-6,12H,4H2,1H3,(H,10,11).
What are the key properties of 1-[(5-bromo-2-pyridinyl)amino]propan-2-ol?
1-[(5-bromo-2-pyridinyl)amino]propan-2-ol has a molecular weight of 231.09 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 43500259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).