7-iodo-8-phenyl-1H-pyrano[3,2-g]indazol-6-one

C16H9IN2O2 — CID 67067772

IUPAC7-iodo-8-phenyl-1H-pyrano[3,2-g]indazol-6-one
SMILESO=c1c(I)c(-c2ccccc2)oc2c1ccc1cn[nH]c12
InChIInChI=1S/C16H9IN2O2/c17-12-14(20)11-7-6-10-8-18-19-13(10)16(11)21-15(12)9-4-2-1-3-5-9/h1-8H,(H,18,19)
InChIKeyCRTHINAKAIOJKT-UHFFFAOYSA-N
MW388.16 g/mol
LogP3.94
Rot. Bonds1

About 7-iodo-8-phenyl-1H-pyrano[3,2-g]indazol-6-one

7-iodo-8-phenyl-1H-pyrano[3,2-g]indazol-6-one (PubChem CID 67067772) has the molecular formula C16H9IN2O2 and a molecular weight of 388.16 g/mol. Its IUPAC name is 7-iodo-8-phenyl-1H-pyrano[3,2-g]indazol-6-one.

Molecular Properties

Compound Name7-iodo-8-phenyl-1H-pyrano[3,2-g]indazol-6-one
PubChem CID67067772
Molecular FormulaC16H9IN2O2
Molecular Weight388.16 g/mol
Exact Mass387.97
IUPAC Name7-iodo-8-phenyl-1H-pyrano[3,2-g]indazol-6-one
SMILESO=c1c(I)c(-c2ccccc2)oc2c1ccc1cn[nH]c12
InChIInChI=1S/C16H9IN2O2/c17-12-14(20)11-7-6-10-8-18-19-13(10)16(11)21-15(12)9-4-2-1-3-5-9/h1-8H,(H,18,19)
InChIKeyCRTHINAKAIOJKT-UHFFFAOYSA-N
XLogP3.94
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.16
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-8-phenyl-1H-pyrano[3,2-g]indazol-6-one?
The IUPAC name of 7-iodo-8-phenyl-1H-pyrano[3,2-g]indazol-6-one (CID 67067772) is 7-iodo-8-phenyl-1H-pyrano[3,2-g]indazol-6-one.
What is the SMILES notation for 7-iodo-8-phenyl-1H-pyrano[3,2-g]indazol-6-one?
The canonical SMILES for 7-iodo-8-phenyl-1H-pyrano[3,2-g]indazol-6-one is O=c1c(I)c(-c2ccccc2)oc2c1ccc1cn[nH]c12.
What is the InChIKey of 7-iodo-8-phenyl-1H-pyrano[3,2-g]indazol-6-one?
The InChIKey is CRTHINAKAIOJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9IN2O2/c17-12-14(20)11-7-6-10-8-18-19-13(10)16(11)21-15(12)9-4-2-1-3-5-9/h1-8H,(H,18,19).
What are the key properties of 7-iodo-8-phenyl-1H-pyrano[3,2-g]indazol-6-one?
7-iodo-8-phenyl-1H-pyrano[3,2-g]indazol-6-one has a molecular weight of 388.16 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-8-phenyl-1H-pyrano[3,2-g]indazol-6-one is sourced from PubChem (CID 67067772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).