1-iodo-2,3-dihydropyridin-6-one

C5H6INO — CID 143106473

IUPAC1-iodo-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1I
InChIInChI=1S/C5H6INO/c6-7-4-2-1-3-5(7)8/h1,3H,2,4H2
InChIKeyISHRQYKYJSNDSE-UHFFFAOYSA-N
MW223.01 g/mol
LogP1.12
Rot. Bonds

About 1-iodo-2,3-dihydropyridin-6-one

1-iodo-2,3-dihydropyridin-6-one (PubChem CID 143106473) has the molecular formula C5H6INO and a molecular weight of 223.01 g/mol. Its IUPAC name is 1-iodo-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-iodo-2,3-dihydropyridin-6-one
PubChem CID143106473
Molecular FormulaC5H6INO
Molecular Weight223.01 g/mol
Exact Mass222.95
IUPAC Name1-iodo-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1I
InChIInChI=1S/C5H6INO/c6-7-4-2-1-3-5(7)8/h1,3H,2,4H2
InChIKeyISHRQYKYJSNDSE-UHFFFAOYSA-N
XLogP1.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.01
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2(1H)-Pyridone, 5,6-dihydro-
CID 6453994
1-Prop-2-enoyl-2,3-dihydropyridin-6-one
CID 72205202
1-[(E)-but-2-enoyl]-2,3-dihydropyridin-6-one
CID 137631456
1,6-Dimethyl-5,6-dihydropyridin-2(1h)-one
CID 12662945
1-Methyl-5,6-dihydropyridin-2(1H)-one
CID 18414702
1-Hydroxy-2,3-dihydropyridin-6-one
CID 53722060
1-(Trifluoromethyl)-2,3-dihydropyridin-6-one
CID 140766267
Lithium 2,3-dihydropyridin-1-id-6-one
CID 56926409
1-Allyl-5-methyl-5,6-dihydropyridin-2(1h)-one
CID 129791253
1-Prop-2-enyl-2,3-dihydropyridin-6-one
CID 134954379
5-Iodo-1-methyl-2,3-dihydropyridin-6-one
CID 138981428
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)prop-2-en-1-one
CID 131001535

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2,3-dihydropyridin-6-one?
The IUPAC name of 1-iodo-2,3-dihydropyridin-6-one (CID 143106473) is 1-iodo-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-iodo-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-iodo-2,3-dihydropyridin-6-one is O=C1C=CCCN1I.
What is the InChIKey of 1-iodo-2,3-dihydropyridin-6-one?
The InChIKey is ISHRQYKYJSNDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6INO/c6-7-4-2-1-3-5(7)8/h1,3H,2,4H2.
What are the key properties of 1-iodo-2,3-dihydropyridin-6-one?
1-iodo-2,3-dihydropyridin-6-one has a molecular weight of 223.01 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2,3-dihydropyridin-6-one is sourced from PubChem (CID 143106473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).