(4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol

C9H13BrN2O — CID 171203504

IUPAC(4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol
SMILESN[C@H](CCCO)c1cccnc1Br
InChIInChI=1S/C9H13BrN2O/c10-9-7(3-1-5-12-9)8(11)4-2-6-13/h1,3,5,8,13H,2,4,6,11H2/t8-/m1/s1
InChIKeyGKTZPXSDTGSCBG-MRVPVSSYSA-N
MW245.12 g/mol
LogP1.62
Rot. Bonds4

About (4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol

(4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol (PubChem CID 171203504) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is (4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name(4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol
PubChem CID171203504
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name(4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol
SMILESN[C@H](CCCO)c1cccnc1Br
InChIInChI=1S/C9H13BrN2O/c10-9-7(3-1-5-12-9)8(11)4-2-6-13/h1,3,5,8,13H,2,4,6,11H2/t8-/m1/s1
InChIKeyGKTZPXSDTGSCBG-MRVPVSSYSA-N
XLogP1.62
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-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

(2S)-2-amino-2-(2-bromo-3-pyridinyl)ethanol
CID 130865139
(4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol
CID 171230946
(1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine
CID 130642809
(4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride
CID 171217585
(1R)-1-(2-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171313620
(1S)-1-(2-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171312989
(1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine
CID 130869347
(1R)-1-(2-bromo-3-pyridinyl)-2-cyclopropylethanamine
CID 130699495
(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
CID 171211346
methyl 3-amino-3-(2-bromo-3-pyridinyl)propanoate
CID 165494272
3-[(1S)-1-amino-4-hydroxybutyl]benzene-1,2-diol
CID 171220556
(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride
CID 171217020

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol?
The IUPAC name of (4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol (CID 171203504) is (4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol.
What is the SMILES notation for (4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol?
The canonical SMILES for (4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol is N[C@H](CCCO)c1cccnc1Br.
What is the InChIKey of (4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol?
The InChIKey is GKTZPXSDTGSCBG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c10-9-7(3-1-5-12-9)8(11)4-2-6-13/h1,3,5,8,13H,2,4,6,11H2/t8-/m1/s1.
What are the key properties of (4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol?
(4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol has a molecular weight of 245.12 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 171203504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).