1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone

C9H10N2O2 — CID 136803768

IUPAC1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(/C(C)=N\O)n1
InChIInChI=1S/C9H10N2O2/c1-6(11-13)8-4-3-5-9(10-8)7(2)12/h3-5,13H,1-2H3/b11-6-
InChIKeyJMUSRTSDIGPEQD-WDZFZDKYSA-N
MW178.19 g/mol
LogP1.48
Rot. Bonds2

About 1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone

1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone (PubChem CID 136803768) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
PubChem CID136803768
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(/C(C)=N\O)n1
InChIInChI=1S/C9H10N2O2/c1-6(11-13)8-4-3-5-9(10-8)7(2)12/h3-5,13H,1-2H3/b11-6-
InChIKeyJMUSRTSDIGPEQD-WDZFZDKYSA-N
XLogP1.48
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 143596814
1-[6-(N-butyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanone
CID 138733924
ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 158021685
1-[6-[6-[6-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethanone
CID 86093047
1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride
CID 87925983
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
CID 88957229
CID 88957229
1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone
CID 138733938
N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine
CID 147119657
N-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine
CID 142476631
6-acetylpyridine-2-carboxylic acid;6-ethanethioylpyridine-2-carboxylic acid
CID 144731400
copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine)
CID 135528783

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone (CID 136803768) is 1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone is CC(=O)c1cccc(/C(C)=N\O)n1.
What is the InChIKey of 1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone?
The InChIKey is JMUSRTSDIGPEQD-WDZFZDKYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6(11-13)8-4-3-5-9(10-8)7(2)12/h3-5,13H,1-2H3/b11-6-.
What are the key properties of 1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone?
1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone has a molecular weight of 178.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 136803768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).