1-(1-hydroxy-6-methylimino-3-pyridinyl)ethanone

C8H10N2O2 — CID 59165922

IUPAC1-(1-hydroxy-6-methylimino-3-pyridinyl)ethanone
SMILESC/N=c1\ccc(C(C)=O)cn1O
InChIInChI=1S/C8H10N2O2/c1-6(11)7-3-4-8(9-2)10(12)5-7/h3-5,12H,1-2H3/b9-8+
InChIKeyUJDFXIRJAQEUKC-CMDGGOBGSA-N
MW166.18 g/mol
LogP0.46
Rot. Bonds1

About 1-(1-hydroxy-6-methylimino-3-pyridinyl)ethanone

1-(1-hydroxy-6-methylimino-3-pyridinyl)ethanone (PubChem CID 59165922) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(1-hydroxy-6-methylimino-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxy-6-methylimino-3-pyridinyl)ethanone
PubChem CID59165922
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-(1-hydroxy-6-methylimino-3-pyridinyl)ethanone
SMILESC/N=c1\ccc(C(C)=O)cn1O
InChIInChI=1S/C8H10N2O2/c1-6(11)7-3-4-8(9-2)10(12)5-7/h3-5,12H,1-2H3/b9-8+
InChIKeyUJDFXIRJAQEUKC-CMDGGOBGSA-N
XLogP0.46
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-6-methylimino-3-pyridinyl)ethanone?
The IUPAC name of 1-(1-hydroxy-6-methylimino-3-pyridinyl)ethanone (CID 59165922) is 1-(1-hydroxy-6-methylimino-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(1-hydroxy-6-methylimino-3-pyridinyl)ethanone?
The canonical SMILES for 1-(1-hydroxy-6-methylimino-3-pyridinyl)ethanone is C/N=c1\ccc(C(C)=O)cn1O.
What is the InChIKey of 1-(1-hydroxy-6-methylimino-3-pyridinyl)ethanone?
The InChIKey is UJDFXIRJAQEUKC-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6(11)7-3-4-8(9-2)10(12)5-7/h3-5,12H,1-2H3/b9-8+.
What are the key properties of 1-(1-hydroxy-6-methylimino-3-pyridinyl)ethanone?
1-(1-hydroxy-6-methylimino-3-pyridinyl)ethanone has a molecular weight of 166.18 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-6-methylimino-3-pyridinyl)ethanone is sourced from PubChem (CID 59165922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).