6-chloro-7-iodo-1H-quinoxalin-2-one

C8H4ClIN2O — CID 167236785

IUPAC6-chloro-7-iodo-1H-quinoxalin-2-one
SMILESO=c1cnc2cc(Cl)c(I)cc2[nH]1
InChIInChI=1S/C8H4ClIN2O/c9-4-1-6-7(2-5(4)10)12-8(13)3-11-6/h1-3H,(H,12,13)
InChIKeyWJHCAFIDSKLHKP-UHFFFAOYSA-N
MW306.49 g/mol
LogP2.18
Rot. Bonds

About 6-chloro-7-iodo-1H-quinoxalin-2-one

6-chloro-7-iodo-1H-quinoxalin-2-one (PubChem CID 167236785) has the molecular formula C8H4ClIN2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 6-chloro-7-iodo-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-chloro-7-iodo-1H-quinoxalin-2-one
PubChem CID167236785
Molecular FormulaC8H4ClIN2O
Molecular Weight306.49 g/mol
Exact Mass305.91
IUPAC Name6-chloro-7-iodo-1H-quinoxalin-2-one
SMILESO=c1cnc2cc(Cl)c(I)cc2[nH]1
InChIInChI=1S/C8H4ClIN2O/c9-4-1-6-7(2-5(4)10)12-8(13)3-11-6/h1-3H,(H,12,13)
InChIKeyWJHCAFIDSKLHKP-UHFFFAOYSA-N
XLogP2.18
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-iodo-1H-quinoxalin-2-one?
The IUPAC name of 6-chloro-7-iodo-1H-quinoxalin-2-one (CID 167236785) is 6-chloro-7-iodo-1H-quinoxalin-2-one.
What is the SMILES notation for 6-chloro-7-iodo-1H-quinoxalin-2-one?
The canonical SMILES for 6-chloro-7-iodo-1H-quinoxalin-2-one is O=c1cnc2cc(Cl)c(I)cc2[nH]1.
What is the InChIKey of 6-chloro-7-iodo-1H-quinoxalin-2-one?
The InChIKey is WJHCAFIDSKLHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClIN2O/c9-4-1-6-7(2-5(4)10)12-8(13)3-11-6/h1-3H,(H,12,13).
What are the key properties of 6-chloro-7-iodo-1H-quinoxalin-2-one?
6-chloro-7-iodo-1H-quinoxalin-2-one has a molecular weight of 306.49 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-iodo-1H-quinoxalin-2-one is sourced from PubChem (CID 167236785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).