7-hydroxy-2-iodo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C8H9IN2O2 — CID 129181664

IUPAC7-hydroxy-2-iodo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(I)C2
InChIInChI=1S/C8H9IN2O2/c9-11-2-1-10-5-8(13)7(12)3-6(10)4-11/h3,5,13H,1-2,4H2
InChIKeyBGKHBMOTHURXJY-UHFFFAOYSA-N
MW292.08 g/mol
LogP0.72
Rot. Bonds

About 7-hydroxy-2-iodo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

7-hydroxy-2-iodo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129181664) has the molecular formula C8H9IN2O2 and a molecular weight of 292.08 g/mol. Its IUPAC name is 7-hydroxy-2-iodo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-hydroxy-2-iodo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129181664
Molecular FormulaC8H9IN2O2
Molecular Weight292.08 g/mol
Exact Mass291.97
IUPAC Name7-hydroxy-2-iodo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(I)C2
InChIInChI=1S/C8H9IN2O2/c9-11-2-1-10-5-8(13)7(12)3-6(10)4-11/h3,5,13H,1-2,4H2
InChIKeyBGKHBMOTHURXJY-UHFFFAOYSA-N
XLogP0.72
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-iodo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 7-hydroxy-2-iodo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129181664) is 7-hydroxy-2-iodo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-hydroxy-2-iodo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-hydroxy-2-iodo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is O=c1cc2n(cc1O)CCN(I)C2.
What is the InChIKey of 7-hydroxy-2-iodo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is BGKHBMOTHURXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O2/c9-11-2-1-10-5-8(13)7(12)3-6(10)4-11/h3,5,13H,1-2,4H2.
What are the key properties of 7-hydroxy-2-iodo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
7-hydroxy-2-iodo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 292.08 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-iodo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129181664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).