3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol

C8H12BrN3O2 — CID 170829105

IUPAC3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol
SMILESNCC(O)C(O)c1cc(Br)cnc1N
InChIInChI=1S/C8H12BrN3O2/c9-4-1-5(8(11)12-3-4)7(14)6(13)2-10/h1,3,6-7,13-14H,2,10H2,(H2,11,12)
InChIKeyPBZKYAZUWJLKPI-UHFFFAOYSA-N
MW262.11 g/mol
LogP-0.22
Rot. Bonds3

About 3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol

3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol (PubChem CID 170829105) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol
PubChem CID170829105
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol
SMILESNCC(O)C(O)c1cc(Br)cnc1N
InChIInChI=1S/C8H12BrN3O2/c9-4-1-5(8(11)12-3-4)7(14)6(13)2-10/h1,3,6-7,13-14H,2,10H2,(H2,11,12)
InChIKeyPBZKYAZUWJLKPI-UHFFFAOYSA-N
XLogP-0.22
TPSA105.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol
CID 84705565
(3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol
CID 130664394
benzyl N-[3-(2-amino-5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171857015
4-amino-1-(5-bromo-2-chloro-3-pyridinyl)butane-1,2-diol
CID 171882359
1-(5-bromo-2-chloro-3-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171875194
1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite
CID 174644135
(2-amino-5-bromo-3-pyridinyl)methanol
CID 10891366
1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893439
3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol
CID 170829088
2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide
CID 91450779
1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893440
6-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901343

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol (CID 170829105) is 3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol is NCC(O)C(O)c1cc(Br)cnc1N.
What is the InChIKey of 3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol?
The InChIKey is PBZKYAZUWJLKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c9-4-1-5(8(11)12-3-4)7(14)6(13)2-10/h1,3,6-7,13-14H,2,10H2,(H2,11,12).
What are the key properties of 3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol?
3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol has a molecular weight of 262.11 g/mol, XLogP of -0.22, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170829105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).