8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile

C10H4ClIN2O — CID 107606970

IUPAC8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c[nH]c2c(Cl)cc(I)cc2c1=O
InChIInChI=1S/C10H4ClIN2O/c11-8-2-6(12)1-7-9(8)14-4-5(3-13)10(7)15/h1-2,4H,(H,14,15)
InChIKeyMNOXWDQYQMCEBK-UHFFFAOYSA-N
MW330.51 g/mol
LogP2.66
Rot. Bonds

About 8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile

8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile (PubChem CID 107606970) has the molecular formula C10H4ClIN2O and a molecular weight of 330.51 g/mol. Its IUPAC name is 8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile
PubChem CID107606970
Molecular FormulaC10H4ClIN2O
Molecular Weight330.51 g/mol
Exact Mass329.91
IUPAC Name8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c[nH]c2c(Cl)cc(I)cc2c1=O
InChIInChI=1S/C10H4ClIN2O/c11-8-2-6(12)1-7-9(8)14-4-5(3-13)10(7)15/h1-2,4H,(H,14,15)
InChIKeyMNOXWDQYQMCEBK-UHFFFAOYSA-N
XLogP2.66
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 52.66
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

6-bromo-8-chloro-4-oxo-1H-quinoline-3-carbonitrile
CID 24707150
6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile
CID 61474799
8-iodo-4-oxo-1H-quinoline-3-carbonitrile
CID 28978423
7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonitrile
CID 69407344
8-[(4-chloro-2-fluorophenyl)methyl]-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile
CID 69407025
4-oxo-1H-benzo[h]quinoline-3-carbonitrile
CID 24695119
7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile
CID 118010177
7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile
CID 146013293
8-chloro-6-iodo-2-methyl-1H-quinolin-4-one
CID 107607566
5-iodo-2-oxo-1H-pyridine-3-carbonitrile
CID 45480261
7-chloro-6-fluoro-4-oxo-8-[[4-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carbonitrile
CID 69405349
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile
CID 130076424

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile (CID 107606970) is 8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile is N#Cc1c[nH]c2c(Cl)cc(I)cc2c1=O.
What is the InChIKey of 8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is MNOXWDQYQMCEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClIN2O/c11-8-2-6(12)1-7-9(8)14-4-5(3-13)10(7)15/h1-2,4H,(H,14,15).
What are the key properties of 8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile?
8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 330.51 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 107606970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).