3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol

C14H15NO3 — CID 129382233

IUPAC3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol
SMILESOc1cccc(CC[C@@H](O)c2ccccn2)c1O
InChIInChI=1S/C14H15NO3/c16-12(11-5-1-2-9-15-11)8-7-10-4-3-6-13(17)14(10)18/h1-6,9,12,16-18H,7-8H2/t12-/m1/s1
InChIKeyICYYBBDIKVGQTR-GFCCVEGCSA-N
MW245.28 g/mol
LogP2.16
Rot. Bonds4

About 3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol

3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol (PubChem CID 129382233) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol
PubChem CID129382233
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol
SMILESOc1cccc(CC[C@@H](O)c2ccccn2)c1O
InChIInChI=1S/C14H15NO3/c16-12(11-5-1-2-9-15-11)8-7-10-4-3-6-13(17)14(10)18/h1-6,9,12,16-18H,7-8H2/t12-/m1/s1
InChIKeyICYYBBDIKVGQTR-GFCCVEGCSA-N
XLogP2.16
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol
CID 129363897
4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol
CID 129383158
(1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 93476587
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
2-chloro-1-pyridin-2-ylethanol
CID 22145518
(1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 129383049
4-hydroxy-4-pyridin-2-ylbutanal
CID 54060730
CID 172780589
CID 172780589
3-(3,3-dichloropropyl)benzene-1,2-diol
CID 154435171
3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185318
1,2-dipyridin-2-ylethanol
CID 11458306
3-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82408899

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol?
The IUPAC name of 3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol (CID 129382233) is 3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol?
The canonical SMILES for 3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol is Oc1cccc(CC[C@@H](O)c2ccccn2)c1O.
What is the InChIKey of 3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol?
The InChIKey is ICYYBBDIKVGQTR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15NO3/c16-12(11-5-1-2-9-15-11)8-7-10-4-3-6-13(17)14(10)18/h1-6,9,12,16-18H,7-8H2/t12-/m1/s1.
What are the key properties of 3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol?
3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol has a molecular weight of 245.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol is sourced from PubChem (CID 129382233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).