(1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol

C8H11BrN2O — CID 130973088

IUPAC(1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1ccnc(Br)c1
InChIInChI=1S/C8H11BrN2O/c1-5(12)8(10)6-2-3-11-7(9)4-6/h2-5,8,12H,10H2,1H3/t5-,8-/m1/s1
InChIKeyBEKHCTKQPCUONU-SVGQVSJJSA-N
MW231.09 g/mol
LogP1.22
Rot. Bonds2

About (1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol

(1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol (PubChem CID 130973088) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol
PubChem CID130973088
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name(1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1ccnc(Br)c1
InChIInChI=1S/C8H11BrN2O/c1-5(12)8(10)6-2-3-11-7(9)4-6/h2-5,8,12H,10H2,1H3/t5-,8-/m1/s1
InChIKeyBEKHCTKQPCUONU-SVGQVSJJSA-N
XLogP1.22
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol
CID 55291915
(1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol
CID 55295314
1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine
CID 130059138
(1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride
CID 171240805
[(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride
CID 89251843
2-(2-bromo-4-pyridinyl)propan-1-amine
CID 87304996
(1S,2S)-1-(2-bromo-4-pyridinyl)-2-cyclopropylethane-1,2-diamine
CID 131122759
(1S)-1-(2-bromo-4-pyridinyl)-3-methylbut-3-en-1-amine
CID 130987039
5-(1-amino-2-hydroxypropyl)-2-bromophenol
CID 130041665
(1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313619
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368
(S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine
CID 171203449

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol (CID 130973088) is (1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol is C[C@@H](O)[C@@H](N)c1ccnc(Br)c1.
What is the InChIKey of (1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol?
The InChIKey is BEKHCTKQPCUONU-SVGQVSJJSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-5(12)8(10)6-2-3-11-7(9)4-6/h2-5,8,12H,10H2,1H3/t5-,8-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol?
(1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol has a molecular weight of 231.09 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol is sourced from PubChem (CID 130973088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).