3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene

C6H3ClINO — CID 145012469

IUPAC3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene
SMILESClc1ccc2c(c1)N=IO2
InChIInChI=1S/C6H3ClINO/c7-4-1-2-6-5(3-4)9-8-10-6/h1-3H
InChIKeyGNPGRPKMBLZCRL-UHFFFAOYSA-N
MW267.45 g/mol
LogP3.43
Rot. Bonds

About 3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene

3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene (PubChem CID 145012469) has the molecular formula C6H3ClINO and a molecular weight of 267.45 g/mol. Its IUPAC name is 3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene.

Molecular Properties

Compound Name3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene
PubChem CID145012469
Molecular FormulaC6H3ClINO
Molecular Weight267.45 g/mol
Exact Mass266.89
IUPAC Name3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene
SMILESClc1ccc2c(c1)N=IO2
InChIInChI=1S/C6H3ClINO/c7-4-1-2-6-5(3-4)9-8-10-6/h1-3H
InChIKeyGNPGRPKMBLZCRL-UHFFFAOYSA-N
XLogP3.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene with MolForge

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Related Compounds

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(3Z)-3-benzylidene-6-chloro-4H-chromene
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CID 23349414

Frequently Asked Questions

What is the IUPAC name of 3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene?
The IUPAC name of 3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene (CID 145012469) is 3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene.
What is the SMILES notation for 3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene?
The canonical SMILES for 3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene is Clc1ccc2c(c1)N=IO2.
What is the InChIKey of 3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene?
The InChIKey is GNPGRPKMBLZCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClINO/c7-4-1-2-6-5(3-4)9-8-10-6/h1-3H.
What are the key properties of 3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene?
3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene has a molecular weight of 267.45 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8λ3-ioda-7-oxa-9-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene is sourced from PubChem (CID 145012469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).