molecular iodine;1-pyridin-2-ylethanone

C7H7I2NO — CID 169427217

IUPACmolecular iodine;1-pyridin-2-ylethanone
SMILESCC(=O)c1ccccn1.II
InChIInChI=1S/C7H7NO.I2/c1-6(9)7-4-2-3-5-8-7;1-2/h2-5H,1H3;
InChIKeyLUACTRNEBBGFIE-UHFFFAOYSA-N
MW374.95 g/mol
LogP3.06
Rot. Bonds1

About molecular iodine;1-pyridin-2-ylethanone

molecular iodine;1-pyridin-2-ylethanone (PubChem CID 169427217) has the molecular formula C7H7I2NO and a molecular weight of 374.95 g/mol. Its IUPAC name is molecular iodine;1-pyridin-2-ylethanone.

Molecular Properties

Compound Namemolecular iodine;1-pyridin-2-ylethanone
PubChem CID169427217
Molecular FormulaC7H7I2NO
Molecular Weight374.95 g/mol
Exact Mass374.86
IUPAC Namemolecular iodine;1-pyridin-2-ylethanone
SMILESCC(=O)c1ccccn1.II
InChIInChI=1S/C7H7NO.I2/c1-6(9)7-4-2-3-5-8-7;1-2/h2-5H,1H3;
InChIKeyLUACTRNEBBGFIE-UHFFFAOYSA-N
XLogP3.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.95
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone
CID 22757609
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
1-pyridin-2-ylethanone;quinoline
CID 175538468
acetyl bromide;pyridine-2-carboxamide
CID 175817538
phosphanyl(pyridin-2-yl)methanone
CID 89397457
ethane;pyridine-2-carbonyl chloride
CID 158598971
1,7-dihydropurin-6-one;1-pyridin-2-ylethanone
CID 135827974
methane;molecular iodine;pyridine;2-pyridin-1-ium-1-yl-1-pyridin-2-ylethanone;1-pyridin-2-ylethanone;iodide
CID 157302733
gadolinium;pyridine-2-carboxylic acid
CID 175231422
ethane;pyridine-2-carbonyl fluoride
CID 161184414

Frequently Asked Questions

What is the IUPAC name of molecular iodine;1-pyridin-2-ylethanone?
The IUPAC name of molecular iodine;1-pyridin-2-ylethanone (CID 169427217) is molecular iodine;1-pyridin-2-ylethanone.
What is the SMILES notation for molecular iodine;1-pyridin-2-ylethanone?
The canonical SMILES for molecular iodine;1-pyridin-2-ylethanone is CC(=O)c1ccccn1.II.
What is the InChIKey of molecular iodine;1-pyridin-2-ylethanone?
The InChIKey is LUACTRNEBBGFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.I2/c1-6(9)7-4-2-3-5-8-7;1-2/h2-5H,1H3;.
What are the key properties of molecular iodine;1-pyridin-2-ylethanone?
molecular iodine;1-pyridin-2-ylethanone has a molecular weight of 374.95 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular iodine;1-pyridin-2-ylethanone is sourced from PubChem (CID 169427217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).