8-iodo-4-oxo-1H-quinoline-3-carbonitrile

C10H5IN2O — CID 28978423

IUPAC8-iodo-4-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c[nH]c2c(I)cccc2c1=O
InChIInChI=1S/C10H5IN2O/c11-8-3-1-2-7-9(8)13-5-6(4-12)10(7)14/h1-3,5H,(H,13,14)
InChIKeyRPWRWEXNTQSYOE-UHFFFAOYSA-N
MW296.07 g/mol
LogP2.00
Rot. Bonds

About 8-iodo-4-oxo-1H-quinoline-3-carbonitrile

8-iodo-4-oxo-1H-quinoline-3-carbonitrile (PubChem CID 28978423) has the molecular formula C10H5IN2O and a molecular weight of 296.07 g/mol. Its IUPAC name is 8-iodo-4-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-iodo-4-oxo-1H-quinoline-3-carbonitrile
PubChem CID28978423
Molecular FormulaC10H5IN2O
Molecular Weight296.07 g/mol
Exact Mass295.94
IUPAC Name8-iodo-4-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c[nH]c2c(I)cccc2c1=O
InChIInChI=1S/C10H5IN2O/c11-8-3-1-2-7-9(8)13-5-6(4-12)10(7)14/h1-3,5H,(H,13,14)
InChIKeyRPWRWEXNTQSYOE-UHFFFAOYSA-N
XLogP2.00
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.07
LogP ≤ 52.00
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 8-iodo-4-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 8-iodo-4-oxo-1H-quinoline-3-carbonitrile (CID 28978423) is 8-iodo-4-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 8-iodo-4-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 8-iodo-4-oxo-1H-quinoline-3-carbonitrile is N#Cc1c[nH]c2c(I)cccc2c1=O.
What is the InChIKey of 8-iodo-4-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is RPWRWEXNTQSYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5IN2O/c11-8-3-1-2-7-9(8)13-5-6(4-12)10(7)14/h1-3,5H,(H,13,14).
What are the key properties of 8-iodo-4-oxo-1H-quinoline-3-carbonitrile?
8-iodo-4-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 296.07 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-4-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 28978423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).