6,7-dichloro-10-iodo-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one

C11H7Cl2IN2O — CID 170426906

IUPAC6,7-dichloro-10-iodo-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one
SMILESO=C1Cn2c(c(I)c3ccc(Cl)c(Cl)c32)CN1
InChIInChI=1S/C11H7Cl2IN2O/c12-6-2-1-5-10(14)7-3-15-8(17)4-16(7)11(5)9(6)13/h1-2H,3-4H2,(H,15,17)
InChIKeyNPRQKOQEDZBHEH-UHFFFAOYSA-N
MW381.00 g/mol
LogP3.18
Rot. Bonds

About 6,7-dichloro-10-iodo-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one

6,7-dichloro-10-iodo-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one (PubChem CID 170426906) has the molecular formula C11H7Cl2IN2O and a molecular weight of 381.00 g/mol. Its IUPAC name is 6,7-dichloro-10-iodo-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one.

Molecular Properties

Compound Name6,7-dichloro-10-iodo-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one
PubChem CID170426906
Molecular FormulaC11H7Cl2IN2O
Molecular Weight381.00 g/mol
Exact Mass379.90
IUPAC Name6,7-dichloro-10-iodo-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one
SMILESO=C1Cn2c(c(I)c3ccc(Cl)c(Cl)c32)CN1
InChIInChI=1S/C11H7Cl2IN2O/c12-6-2-1-5-10(14)7-3-15-8(17)4-16(7)11(5)9(6)13/h1-2H,3-4H2,(H,15,17)
InChIKeyNPRQKOQEDZBHEH-UHFFFAOYSA-N
XLogP3.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.00
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-10-iodo-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one?
The IUPAC name of 6,7-dichloro-10-iodo-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one (CID 170426906) is 6,7-dichloro-10-iodo-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one.
What is the SMILES notation for 6,7-dichloro-10-iodo-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one?
The canonical SMILES for 6,7-dichloro-10-iodo-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one is O=C1Cn2c(c(I)c3ccc(Cl)c(Cl)c32)CN1.
What is the InChIKey of 6,7-dichloro-10-iodo-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one?
The InChIKey is NPRQKOQEDZBHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2IN2O/c12-6-2-1-5-10(14)7-3-15-8(17)4-16(7)11(5)9(6)13/h1-2H,3-4H2,(H,15,17).
What are the key properties of 6,7-dichloro-10-iodo-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one?
6,7-dichloro-10-iodo-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one has a molecular weight of 381.00 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-10-iodo-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one is sourced from PubChem (CID 170426906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).