(1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol

C8H12ClN3O — CID 130706086

IUPAC(1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1cnc(Cl)c(N)c1
InChIInChI=1S/C8H12ClN3O/c1-4(13)7(11)5-2-6(10)8(9)12-3-5/h2-4,7,13H,10-11H2,1H3/t4-,7-/m1/s1
InChIKeyOXUIZPUVCPUDSJ-CLZZGJSISA-N
MW201.66 g/mol
LogP0.70
Rot. Bonds2

About (1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol

(1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol (PubChem CID 130706086) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol
PubChem CID130706086
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name(1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1cnc(Cl)c(N)c1
InChIInChI=1S/C8H12ClN3O/c1-4(13)7(11)5-2-6(10)8(9)12-3-5/h2-4,7,13H,10-11H2,1H3/t4-,7-/m1/s1
InChIKeyOXUIZPUVCPUDSJ-CLZZGJSISA-N
XLogP0.70
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol with MolForge

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Related Compounds

1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol
CID 55270474
(1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 131023913
(1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine
CID 131097721
(1R,2R)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 55270497
1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol
CID 171861677
(1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol
CID 55291623
(1S)-1-(5,6-dichloro-3-pyridinyl)-2-methylpropan-1-amine
CID 130714020
(1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol
CID 55292212
(1R,2S)-1-amino-1-(2,5-dichloro-4-pyridinyl)propan-2-ol
CID 130701561
N-[3-(5-amino-6-chloro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829700
ethyl 4-(5-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897024
(1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol
CID 131124378

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol (CID 130706086) is (1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol is C[C@@H](O)[C@@H](N)c1cnc(Cl)c(N)c1.
What is the InChIKey of (1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol?
The InChIKey is OXUIZPUVCPUDSJ-CLZZGJSISA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-4(13)7(11)5-2-6(10)8(9)12-3-5/h2-4,7,13H,10-11H2,1H3/t4-,7-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol?
(1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol has a molecular weight of 201.66 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 130706086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).