(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol

C11H13N3O2 — CID 58930396

IUPAC(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol
SMILESO[C@@H](COc1cccnc1)Cn1ccnc1
InChIInChI=1S/C11H13N3O2/c15-10(7-14-5-4-13-9-14)8-16-11-2-1-3-12-6-11/h1-6,9-10,15H,7-8H2/t10-/m1/s1
InChIKeyXXBMOZGQBIRBCC-SNVBAGLBSA-N
MW219.24 g/mol
LogP0.72
Rot. Bonds5

About (2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol

(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol (PubChem CID 58930396) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol
PubChem CID58930396
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol
SMILESO[C@@H](COc1cccnc1)Cn1ccnc1
InChIInChI=1S/C11H13N3O2/c15-10(7-14-5-4-13-9-14)8-16-11-2-1-3-12-6-11/h1-6,9-10,15H,7-8H2/t10-/m1/s1
InChIKeyXXBMOZGQBIRBCC-SNVBAGLBSA-N
XLogP0.72
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol?
The IUPAC name of (2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol (CID 58930396) is (2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol is O[C@@H](COc1cccnc1)Cn1ccnc1.
What is the InChIKey of (2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol?
The InChIKey is XXBMOZGQBIRBCC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-10(7-14-5-4-13-9-14)8-16-11-2-1-3-12-6-11/h1-6,9-10,15H,7-8H2/t10-/m1/s1.
What are the key properties of (2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol?
(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol has a molecular weight of 219.24 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol is sourced from PubChem (CID 58930396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).