2-(difluoromethyl)-5-iodopyridazin-3-one

C5H3F2IN2O — CID 114553367

IUPAC2-(difluoromethyl)-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1C(F)F
InChIInChI=1S/C5H3F2IN2O/c6-5(7)10-4(11)1-3(8)2-9-10/h1-2,5H
InChIKeyVFKYJDPOMAPAMI-UHFFFAOYSA-N
MW271.99 g/mol
LogP1.24
Rot. Bonds1

About 2-(difluoromethyl)-5-iodopyridazin-3-one

2-(difluoromethyl)-5-iodopyridazin-3-one (PubChem CID 114553367) has the molecular formula C5H3F2IN2O and a molecular weight of 271.99 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-(difluoromethyl)-5-iodopyridazin-3-one
PubChem CID114553367
Molecular FormulaC5H3F2IN2O
Molecular Weight271.99 g/mol
Exact Mass271.93
IUPAC Name2-(difluoromethyl)-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1C(F)F
InChIInChI=1S/C5H3F2IN2O/c6-5(7)10-4(11)1-3(8)2-9-10/h1-2,5H
InChIKeyVFKYJDPOMAPAMI-UHFFFAOYSA-N
XLogP1.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.99
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Iodo-2-methyl-2,3-dihydropyridazin-3-one
CID 11230092
2-Methyl-5-(trifluoromethyl)pyridazin-3-one
CID 22508455
2-(2,2-Difluoroethyl)-5-iodopyridazin-3-one
CID 114553445
5-Iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one
CID 106705715
5-Iodo-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 114553299
5-Iodo-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114553308
5-Iodo-2-(4,4,4-trifluorobutyl)pyridazin-3-one
CID 114553552
2-(2-Fluoroethyl)-5-iodopyridazin-3-one
CID 114553694
2-(3-Fluoropropyl)-5-iodopyridazin-3-one
CID 114553726
5-Iodo-2-(2,2,3,3-tetrafluoropropyl)pyridazin-3-one
CID 130526690

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-iodopyridazin-3-one?
The IUPAC name of 2-(difluoromethyl)-5-iodopyridazin-3-one (CID 114553367) is 2-(difluoromethyl)-5-iodopyridazin-3-one.
What is the SMILES notation for 2-(difluoromethyl)-5-iodopyridazin-3-one?
The canonical SMILES for 2-(difluoromethyl)-5-iodopyridazin-3-one is O=c1cc(I)cnn1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-iodopyridazin-3-one?
The InChIKey is VFKYJDPOMAPAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2IN2O/c6-5(7)10-4(11)1-3(8)2-9-10/h1-2,5H.
What are the key properties of 2-(difluoromethyl)-5-iodopyridazin-3-one?
2-(difluoromethyl)-5-iodopyridazin-3-one has a molecular weight of 271.99 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-iodopyridazin-3-one is sourced from PubChem (CID 114553367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).