(3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol

C8H12BrN3O — CID 130664394

IUPAC(3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol
SMILESNc1ncc(Br)cc1[C@@H](N)CCO
InChIInChI=1S/C8H12BrN3O/c9-5-3-6(7(10)1-2-13)8(11)12-4-5/h3-4,7,13H,1-2,10H2,(H2,11,12)/t7-/m0/s1
InChIKeyIQKGMTDPLVJVLU-ZETCQYMHSA-N
MW246.11 g/mol
LogP0.81
Rot. Bonds3

About (3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol

(3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol (PubChem CID 130664394) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is (3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol
PubChem CID130664394
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name(3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol
SMILESNc1ncc(Br)cc1[C@@H](N)CCO
InChIInChI=1S/C8H12BrN3O/c9-5-3-6(7(10)1-2-13)8(11)12-4-5/h3-4,7,13H,1-2,10H2,(H2,11,12)/t7-/m0/s1
InChIKeyIQKGMTDPLVJVLU-ZETCQYMHSA-N
XLogP0.81
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol
CID 84705565
(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
CID 131090689
3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol
CID 170829105
(2-amino-5-bromo-3-pyridinyl)methanol
CID 10891366
2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride
CID 171198651
(3R)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 130740189
3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 84711249
(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
CID 171211346
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol;hydrochloride
CID 171223578
(4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol
CID 171230946
1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite
CID 174644135

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol?
The IUPAC name of (3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol (CID 130664394) is (3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol is Nc1ncc(Br)cc1[C@@H](N)CCO.
What is the InChIKey of (3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol?
The InChIKey is IQKGMTDPLVJVLU-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12BrN3O/c9-5-3-6(7(10)1-2-13)8(11)12-4-5/h3-4,7,13H,1-2,10H2,(H2,11,12)/t7-/m0/s1.
What are the key properties of (3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol?
(3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol has a molecular weight of 246.11 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 130664394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).