5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol

C8H12N2O2 — CID 55276734

IUPAC5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol
SMILESC[C@@](N)(CO)c1cncc(O)c1
InChIInChI=1S/C8H12N2O2/c1-8(9,5-11)6-2-7(12)4-10-3-6/h2-4,11-12H,5,9H2,1H3/t8-/m1/s1
InChIKeyKOOMOQMLDOGXKJ-MRVPVSSYSA-N
MW168.20 g/mol
LogP-0.05
Rot. Bonds2

About 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol

5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol (PubChem CID 55276734) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol
PubChem CID55276734
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol
SMILESC[C@@](N)(CO)c1cncc(O)c1
InChIInChI=1S/C8H12N2O2/c1-8(9,5-11)6-2-7(12)4-10-3-6/h2-4,11-12H,5,9H2,1H3/t8-/m1/s1
InChIKeyKOOMOQMLDOGXKJ-MRVPVSSYSA-N
XLogP-0.05
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol?
The IUPAC name of 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol (CID 55276734) is 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol.
What is the SMILES notation for 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol?
The canonical SMILES for 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol is C[C@@](N)(CO)c1cncc(O)c1.
What is the InChIKey of 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol?
The InChIKey is KOOMOQMLDOGXKJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(9,5-11)6-2-7(12)4-10-3-6/h2-4,11-12H,5,9H2,1H3/t8-/m1/s1.
What are the key properties of 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol?
5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol has a molecular weight of 168.20 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol is sourced from PubChem (CID 55276734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).