2-(2-iodophenyl)-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-3-one

C22H14IN3O2 — CID 10116609

IUPAC2-(2-iodophenyl)-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-3-one
SMILESO=c1c(-c2cccnc2)c2c(nn1-c1ccccc1I)-c1ccccc1OC2
InChIInChI=1S/C22H14IN3O2/c23-17-8-2-3-9-18(17)26-22(27)20(14-6-5-11-24-12-14)16-13-28-19-10-4-1-7-15(19)21(16)25-26/h1-12H,13H2
InChIKeyFRKONBNFURRTPT-UHFFFAOYSA-N
MW479.28 g/mol
LogP4.46
Rot. Bonds2

About 2-(2-iodophenyl)-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-3-one

2-(2-iodophenyl)-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-3-one (PubChem CID 10116609) has the molecular formula C22H14IN3O2 and a molecular weight of 479.28 g/mol. Its IUPAC name is 2-(2-iodophenyl)-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-iodophenyl)-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-3-one
PubChem CID10116609
Molecular FormulaC22H14IN3O2
Molecular Weight479.28 g/mol
Exact Mass479.01
IUPAC Name2-(2-iodophenyl)-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-3-one
SMILESO=c1c(-c2cccnc2)c2c(nn1-c1ccccc1I)-c1ccccc1OC2
InChIInChI=1S/C22H14IN3O2/c23-17-8-2-3-9-18(17)26-22(27)20(14-6-5-11-24-12-14)16-13-28-19-10-4-1-7-15(19)21(16)25-26/h1-12H,13H2
InChIKeyFRKONBNFURRTPT-UHFFFAOYSA-N
XLogP4.46
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.28
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenyl)-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-3-one?
The IUPAC name of 2-(2-iodophenyl)-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-3-one (CID 10116609) is 2-(2-iodophenyl)-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-(2-iodophenyl)-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-(2-iodophenyl)-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-3-one is O=c1c(-c2cccnc2)c2c(nn1-c1ccccc1I)-c1ccccc1OC2.
What is the InChIKey of 2-(2-iodophenyl)-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-3-one?
The InChIKey is FRKONBNFURRTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14IN3O2/c23-17-8-2-3-9-18(17)26-22(27)20(14-6-5-11-24-12-14)16-13-28-19-10-4-1-7-15(19)21(16)25-26/h1-12H,13H2.
What are the key properties of 2-(2-iodophenyl)-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-3-one?
2-(2-iodophenyl)-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-3-one has a molecular weight of 479.28 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)-4-pyridin-3-yl-5H-chromeno[4,3-c]pyridazin-3-one is sourced from PubChem (CID 10116609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).