1-methanidyl-1H-pyridin-1-ium-2-one

C6H7NO — CID 21055100

IUPAC1-methanidyl-1H-pyridin-1-ium-2-one
SMILES[CH2-][NH+]1C=CC=CC1=O
InChIInChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5,7H,1H2
InChIKeyJYMRCYATIBGELP-UHFFFAOYSA-N
MW109.13 g/mol
LogP-0.73
Rot. Bonds

About 1-methanidyl-1H-pyridin-1-ium-2-one

1-methanidyl-1H-pyridin-1-ium-2-one (PubChem CID 21055100) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 1-methanidyl-1H-pyridin-1-ium-2-one.

Molecular Properties

Compound Name1-methanidyl-1H-pyridin-1-ium-2-one
PubChem CID21055100
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name1-methanidyl-1H-pyridin-1-ium-2-one
SMILES[CH2-][NH+]1C=CC=CC1=O
InChIInChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5,7H,1H2
InChIKeyJYMRCYATIBGELP-UHFFFAOYSA-N
XLogP-0.73
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-Pyridone
CID 8871
1-Methyl-2(1H)-pyridinone
CID 12755
5-Bromo-2-hydroxypyridine
CID 599528
2-Hydroxy-3-methylpyridine
CID 70481
2-Hydroxy-4-methylpyridine
CID 280741
5-Chloro-2-pyridone
CID 77889
2-Hydroxy-5-iodopyridine
CID 459500
3-Bromo-2-hydroxypyridine
CID 818549
5-Amino-1-methyl-1,2-dihydropyridin-2-one
CID 10220005
3-Iodopyridin-2-ol
CID 13636536
3-Fluoro-2-hydroxypyridine
CID 2783363
4-Amino-1,2-dihydropyridin-2-one
CID 573530

Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-1H-pyridin-1-ium-2-one?
The IUPAC name of 1-methanidyl-1H-pyridin-1-ium-2-one (CID 21055100) is 1-methanidyl-1H-pyridin-1-ium-2-one.
What is the SMILES notation for 1-methanidyl-1H-pyridin-1-ium-2-one?
The canonical SMILES for 1-methanidyl-1H-pyridin-1-ium-2-one is [CH2-][NH+]1C=CC=CC1=O.
What is the InChIKey of 1-methanidyl-1H-pyridin-1-ium-2-one?
The InChIKey is JYMRCYATIBGELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5,7H,1H2.
What are the key properties of 1-methanidyl-1H-pyridin-1-ium-2-one?
1-methanidyl-1H-pyridin-1-ium-2-one has a molecular weight of 109.13 g/mol, XLogP of -0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-1H-pyridin-1-ium-2-one is sourced from PubChem (CID 21055100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).