4-chloro-9λ3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene

C6H4ClIN2 — CID 142726040

IUPAC4-chloro-9λ3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILESClC1=CC2=NC=IN2C=C1
InChIInChI=1S/C6H4ClIN2/c7-5-1-2-10-6(3-5)9-4-8-10/h1-4H
InChIKeyUCZIQPRBAAWQKK-UHFFFAOYSA-N
MW266.47 g/mol
LogP2.00
Rot. Bonds

About 4-chloro-9λ3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene

4-chloro-9λ3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene (PubChem CID 142726040) has the molecular formula C6H4ClIN2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-chloro-9λ3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene.

Molecular Properties

Compound Name4-chloro-9λ3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
PubChem CID142726040
Molecular FormulaC6H4ClIN2
Molecular Weight266.47 g/mol
Exact Mass265.91
IUPAC Name4-chloro-9λ3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILESClC1=CC2=NC=IN2C=C1
InChIInChI=1S/C6H4ClIN2/c7-5-1-2-10-6(3-5)9-4-8-10/h1-4H
InChIKeyUCZIQPRBAAWQKK-UHFFFAOYSA-N
XLogP2.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3H-imidazo[1,2-a]pyridin-3-ide;palladium(2+);prop-1-ene
CID 134856117
7-Chloro-2,3-dihydroimidazo[1,2-a]pyridine
CID 20395645
2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium
CID 123465064
9lambda3-Ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
CID 142719697
3H-imidazo[1,2-a]pyridin-3-ide;rubidium(1+)
CID 170948120
potassium 3H-imidazo[1,2-a]pyridin-3-ide
CID 171541701
4-Bromo-9lambda3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
CID 177253547
4-chloro-N,1-dimethylpyridin-2-imine
CID 101962253

Frequently Asked Questions

What is the IUPAC name of 4-chloro-9λ3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene?
The IUPAC name of 4-chloro-9λ3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene (CID 142726040) is 4-chloro-9λ3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene.
What is the SMILES notation for 4-chloro-9λ3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene?
The canonical SMILES for 4-chloro-9λ3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene is ClC1=CC2=NC=IN2C=C1.
What is the InChIKey of 4-chloro-9λ3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene?
The InChIKey is UCZIQPRBAAWQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClIN2/c7-5-1-2-10-6(3-5)9-4-8-10/h1-4H.
What are the key properties of 4-chloro-9λ3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene?
4-chloro-9λ3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene has a molecular weight of 266.47 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-9λ3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene is sourced from PubChem (CID 142726040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).