8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one

C10H4ClF3INO — CID 114260850

IUPAC8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2c(Cl)ccc(I)c12
InChIInChI=1S/C10H4ClF3INO/c11-4-1-2-5(15)8-6(17)3-7(10(12,13)14)16-9(4)8/h1-3H,(H,16,17)
InChIKeyFIFKELKVNOMARL-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.80
Rot. Bonds

About 8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one

8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 114260850) has the molecular formula C10H4ClF3INO and a molecular weight of 373.50 g/mol. Its IUPAC name is 8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID114260850
Molecular FormulaC10H4ClF3INO
Molecular Weight373.50 g/mol
Exact Mass372.90
IUPAC Name8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2c(Cl)ccc(I)c12
InChIInChI=1S/C10H4ClF3INO/c11-4-1-2-5(15)8-6(17)3-7(10(12,13)14)16-9(4)8/h1-3H,(H,16,17)
InChIKeyFIFKELKVNOMARL-UHFFFAOYSA-N
XLogP3.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one (CID 114260850) is 8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one is O=c1cc(C(F)(F)F)[nH]c2c(Cl)ccc(I)c12.
What is the InChIKey of 8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is FIFKELKVNOMARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3INO/c11-4-1-2-5(15)8-6(17)3-7(10(12,13)14)16-9(4)8/h1-3H,(H,16,17).
What are the key properties of 8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one?
8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 373.50 g/mol, XLogP of 3.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 114260850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).