(1S,2S)-1-pyridin-2-ylpropane-1,2-diol

C8H11NO2 — CID 28766943

IUPAC(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
SMILESC[C@H](O)[C@@H](O)c1ccccn1
InChIInChI=1S/C8H11NO2/c1-6(10)8(11)7-4-2-3-5-9-7/h2-6,8,10-11H,1H3/t6-,8+/m0/s1
InChIKeyUPLXVFJRSWFSLM-POYBYMJQSA-N
MW153.18 g/mol
LogP0.50
Rot. Bonds2

About (1S,2S)-1-pyridin-2-ylpropane-1,2-diol

(1S,2S)-1-pyridin-2-ylpropane-1,2-diol (PubChem CID 28766943) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (1S,2S)-1-pyridin-2-ylpropane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
PubChem CID28766943
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
SMILESC[C@H](O)[C@@H](O)c1ccccn1
InChIInChI=1S/C8H11NO2/c1-6(10)8(11)7-4-2-3-5-9-7/h2-6,8,10-11H,1H3/t6-,8+/m0/s1
InChIKeyUPLXVFJRSWFSLM-POYBYMJQSA-N
XLogP0.50
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
CID 51670363
2-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82280795
(2S)-2-methoxy-1-pyridin-2-ylpropan-1-ol
CID 131085993
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
(3S,4R)-4-hydroxy-3-methyl-4-pyridin-2-ylbutan-2-one
CID 130697576
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
1-(5-chlorofuran-2-yl)-2-pyridin-2-ylpropan-1-ol
CID 106690716
2-(1-fluoroethyl)pyridine;1-pyridin-2-ylethanol
CID 161183941
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-pyridin-2-ylpropane-1,2-diol?
The IUPAC name of (1S,2S)-1-pyridin-2-ylpropane-1,2-diol (CID 28766943) is (1S,2S)-1-pyridin-2-ylpropane-1,2-diol.
What is the SMILES notation for (1S,2S)-1-pyridin-2-ylpropane-1,2-diol?
The canonical SMILES for (1S,2S)-1-pyridin-2-ylpropane-1,2-diol is C[C@H](O)[C@@H](O)c1ccccn1.
What is the InChIKey of (1S,2S)-1-pyridin-2-ylpropane-1,2-diol?
The InChIKey is UPLXVFJRSWFSLM-POYBYMJQSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6(10)8(11)7-4-2-3-5-9-7/h2-6,8,10-11H,1H3/t6-,8+/m0/s1.
What are the key properties of (1S,2S)-1-pyridin-2-ylpropane-1,2-diol?
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol has a molecular weight of 153.18 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-pyridin-2-ylpropane-1,2-diol is sourced from PubChem (CID 28766943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).