1-(2-amino-1-oxido-2H-pyridin-5-yl)ethanone

C7H9N2O2- — CID 45082972

IUPAC1-(2-amino-1-oxido-2H-pyridin-5-yl)ethanone
SMILESCC(=O)C1=CN([O-])C(N)C=C1
InChIInChI=1S/C7H9N2O2/c1-5(10)6-2-3-7(8)9(11)4-6/h2-4,7H,8H2,1H3/q-1
InChIKeyUBIRWNZWSGKZJJ-UHFFFAOYSA-N
MW153.16 g/mol
LogP0.11
Rot. Bonds1

About 1-(2-amino-1-oxido-2H-pyridin-5-yl)ethanone

1-(2-amino-1-oxido-2H-pyridin-5-yl)ethanone (PubChem CID 45082972) has the molecular formula C7H9N2O2- and a molecular weight of 153.16 g/mol. Its IUPAC name is 1-(2-amino-1-oxido-2H-pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-1-oxido-2H-pyridin-5-yl)ethanone
PubChem CID45082972
Molecular FormulaC7H9N2O2-
Molecular Weight153.16 g/mol
Exact Mass153.07
IUPAC Name1-(2-amino-1-oxido-2H-pyridin-5-yl)ethanone
SMILESCC(=O)C1=CN([O-])C(N)C=C1
InChIInChI=1S/C7H9N2O2/c1-5(10)6-2-3-7(8)9(11)4-6/h2-4,7H,8H2,1H3/q-1
InChIKeyUBIRWNZWSGKZJJ-UHFFFAOYSA-N
XLogP0.11
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone
CID 89336336
2-hydroxy-1-methyl-2H-pyridine-5-carboxylic acid
CID 155153021
1-(2-acetylphenyl)ethanone;methane
CID 158210616
2-acetyl-N-oxidobenzamide
CID 163875491
1-(4-tert-butylcyclohexa-1,5-dien-1-yl)ethanone
CID 10856047
1-[4-(2-aminoethyl)cyclohexa-1,5-dien-1-yl]ethanone;methanol
CID 142914676
1-(1,7a-dihydro-2,1,3-benzoxadiazol-5-yl)ethanone
CID 142230569
1-[2-(hydroxymethyl)-3a,7a-dihydro-1-benzofuran-5-yl]ethanone
CID 112712625
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
(4R,5R)-4,5-dihydroxycyclohepta-2,6-dien-1-one
CID 130834340
1-(1H-azepin-4-yl)ethanone
CID 142694737
N-(2-acetylphenyl)methanimidate
CID 164787794

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-oxido-2H-pyridin-5-yl)ethanone?
The IUPAC name of 1-(2-amino-1-oxido-2H-pyridin-5-yl)ethanone (CID 45082972) is 1-(2-amino-1-oxido-2H-pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(2-amino-1-oxido-2H-pyridin-5-yl)ethanone?
The canonical SMILES for 1-(2-amino-1-oxido-2H-pyridin-5-yl)ethanone is CC(=O)C1=CN([O-])C(N)C=C1.
What is the InChIKey of 1-(2-amino-1-oxido-2H-pyridin-5-yl)ethanone?
The InChIKey is UBIRWNZWSGKZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2O2/c1-5(10)6-2-3-7(8)9(11)4-6/h2-4,7H,8H2,1H3/q-1.
What are the key properties of 1-(2-amino-1-oxido-2H-pyridin-5-yl)ethanone?
1-(2-amino-1-oxido-2H-pyridin-5-yl)ethanone has a molecular weight of 153.16 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-oxido-2H-pyridin-5-yl)ethanone is sourced from PubChem (CID 45082972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).