(6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol

C8H12N2O3 — CID 89038691

IUPAC(6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol
SMILESOCC1[C@@H](O)[C@H](O)Cc2nccn21
InChIInChI=1S/C8H12N2O3/c11-4-5-8(13)6(12)3-7-9-1-2-10(5)7/h1-2,5-6,8,11-13H,3-4H2/t5?,6-,8-/m1/s1
InChIKeyVPZTZIHANSWIPU-KYVYOHOSSA-N
MW184.19 g/mol
LogP-1.31
Rot. Bonds1

About (6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol

(6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol (PubChem CID 89038691) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is (6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol.

Molecular Properties

Compound Name(6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol
PubChem CID89038691
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol
SMILESOCC1[C@@H](O)[C@H](O)Cc2nccn21
InChIInChI=1S/C8H12N2O3/c11-4-5-8(13)6(12)3-7-9-1-2-10(5)7/h1-2,5-6,8,11-13H,3-4H2/t5?,6-,8-/m1/s1
InChIKeyVPZTZIHANSWIPU-KYVYOHOSSA-N
XLogP-1.31
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol?
The IUPAC name of (6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol (CID 89038691) is (6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol.
What is the SMILES notation for (6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol?
The canonical SMILES for (6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol is OCC1[C@@H](O)[C@H](O)Cc2nccn21.
What is the InChIKey of (6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol?
The InChIKey is VPZTZIHANSWIPU-KYVYOHOSSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-4-5-8(13)6(12)3-7-9-1-2-10(5)7/h1-2,5-6,8,11-13H,3-4H2/t5?,6-,8-/m1/s1.
What are the key properties of (6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol?
(6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol has a molecular weight of 184.19 g/mol, XLogP of -1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7-diol is sourced from PubChem (CID 89038691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).