2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide

C7H7IN2O2 — CID 173406298

IUPAC2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide
SMILESI.O=C(C=NO)c1cccnc1
InChIInChI=1S/C7H6N2O2.HI/c10-7(5-9-11)6-2-1-3-8-4-6;/h1-5,11H;1H
InChIKeyQOOHKBIWGHREHI-UHFFFAOYSA-N
MW278.05 g/mol
LogP1.34
Rot. Bonds2

About 2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide

2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide (PubChem CID 173406298) has the molecular formula C7H7IN2O2 and a molecular weight of 278.05 g/mol. Its IUPAC name is 2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide.

Molecular Properties

Compound Name2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide
PubChem CID173406298
Molecular FormulaC7H7IN2O2
Molecular Weight278.05 g/mol
Exact Mass277.96
IUPAC Name2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide
SMILESI.O=C(C=NO)c1cccnc1
InChIInChI=1S/C7H6N2O2.HI/c10-7(5-9-11)6-2-1-3-8-4-6;/h1-5,11H;1H
InChIKeyQOOHKBIWGHREHI-UHFFFAOYSA-N
XLogP1.34
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

(2E)-2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide
CID 173406297
4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 53427422
(Z)-4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 167311390
2-hydroxyimino-1-phenylethanone;quinoline
CID 161451163
N-sulfanylidenepyridine-3-carboxamide
CID 23289350
nickel;pyridine-3-carboxylic acid
CID 174049937
CID 157283677
CID 157283677
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
CID 131854915
CID 131854915
2,3-dioxo-3-pyridin-3-ylpropanoic acid
CID 83529828
3-cyclopropyl-1-pyridin-3-ylprop-2-en-1-one
CID 123858410
1-pyridin-3-ylethanone;hydrochloride
CID 69233376

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide?
The IUPAC name of 2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide (CID 173406298) is 2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide.
What is the SMILES notation for 2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide?
The canonical SMILES for 2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide is I.O=C(C=NO)c1cccnc1.
What is the InChIKey of 2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide?
The InChIKey is QOOHKBIWGHREHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2.HI/c10-7(5-9-11)6-2-1-3-8-4-6;/h1-5,11H;1H.
What are the key properties of 2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide?
2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide has a molecular weight of 278.05 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide is sourced from PubChem (CID 173406298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).