5-chloro-3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one

C6H2ClF3INO — CID 67121042

IUPAC5-chloro-3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)c(Cl)cc1I
InChIInChI=1S/C6H2ClF3INO/c7-2-1-3(11)5(13)12-4(2)6(8,9)10/h1H,(H,12,13)
InChIKeyFCBVYCVVHLQBQW-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.65
Rot. Bonds

About 5-chloro-3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one

5-chloro-3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 67121042) has the molecular formula C6H2ClF3INO and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-chloro-3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID67121042
Molecular FormulaC6H2ClF3INO
Molecular Weight323.44 g/mol
Exact Mass322.88
IUPAC Name5-chloro-3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)c(Cl)cc1I
InChIInChI=1S/C6H2ClF3INO/c7-2-1-3(11)5(13)12-4(2)6(8,9)10/h1H,(H,12,13)
InChIKeyFCBVYCVVHLQBQW-UHFFFAOYSA-N
XLogP2.65
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.65
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 5-chloro-3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one (CID 67121042) is 5-chloro-3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)c(Cl)cc1I.
What is the InChIKey of 5-chloro-3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is FCBVYCVVHLQBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3INO/c7-2-1-3(11)5(13)12-4(2)6(8,9)10/h1H,(H,12,13).
What are the key properties of 5-chloro-3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one?
5-chloro-3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 323.44 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 67121042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).