(6S)-3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol

C7H9N3O3 — CID 25232353

IUPAC(6S)-3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
SMILESO=[N+]([O-])c1cnc2n1C[C@@H](O)CC2
InChIInChI=1S/C7H9N3O3/c11-5-1-2-6-8-3-7(10(12)13)9(6)4-5/h3,5,11H,1-2,4H2/t5-/m0/s1
InChIKeyJEVAXXKJSULOMY-YFKPBYRVSA-N
MW183.17 g/mol
LogP0.10
Rot. Bonds1

About (6S)-3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol

(6S)-3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol (PubChem CID 25232353) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is (6S)-3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol.

Molecular Properties

Compound Name(6S)-3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
PubChem CID25232353
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name(6S)-3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
SMILESO=[N+]([O-])c1cnc2n1C[C@@H](O)CC2
InChIInChI=1S/C7H9N3O3/c11-5-1-2-6-8-3-7(10(12)13)9(6)4-5/h3,5,11H,1-2,4H2/t5-/m0/s1
InChIKeyJEVAXXKJSULOMY-YFKPBYRVSA-N
XLogP0.10
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol?
The IUPAC name of (6S)-3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol (CID 25232353) is (6S)-3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol.
What is the SMILES notation for (6S)-3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol?
The canonical SMILES for (6S)-3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol is O=[N+]([O-])c1cnc2n1C[C@@H](O)CC2.
What is the InChIKey of (6S)-3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol?
The InChIKey is JEVAXXKJSULOMY-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-5-1-2-6-8-3-7(10(12)13)9(6)4-5/h3,5,11H,1-2,4H2/t5-/m0/s1.
What are the key properties of (6S)-3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol?
(6S)-3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol has a molecular weight of 183.17 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol is sourced from PubChem (CID 25232353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).