6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one

C7H5F3INO — CID 169148999

IUPAC6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(I)ccc1CC(F)(F)F
InChIInChI=1S/C7H5F3INO/c8-7(9,10)3-4-1-2-5(11)12-6(4)13/h1-2H,3H2,(H,12,13)
InChIKeyCQGHCXLEAHAANN-UHFFFAOYSA-N
MW303.02 g/mol
LogP2.08
Rot. Bonds1

About 6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one

6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one (PubChem CID 169148999) has the molecular formula C7H5F3INO and a molecular weight of 303.02 g/mol. Its IUPAC name is 6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
PubChem CID169148999
Molecular FormulaC7H5F3INO
Molecular Weight303.02 g/mol
Exact Mass302.94
IUPAC Name6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(I)ccc1CC(F)(F)F
InChIInChI=1S/C7H5F3INO/c8-7(9,10)3-4-1-2-5(11)12-6(4)13/h1-2H,3H2,(H,12,13)
InChIKeyCQGHCXLEAHAANN-UHFFFAOYSA-N
XLogP2.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.02
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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CID 170115872
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CID 170115895
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CID 170115897
CID 170115897
CID 118817301
CID 118817301
CID 118818108
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CID 118840093
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CID 118846397
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CID 118851853
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CID 130079223
CID 130079223

Frequently Asked Questions

What is the IUPAC name of 6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The IUPAC name of 6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one (CID 169148999) is 6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one is O=c1[nH]c(I)ccc1CC(F)(F)F.
What is the InChIKey of 6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The InChIKey is CQGHCXLEAHAANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO/c8-7(9,10)3-4-1-2-5(11)12-6(4)13/h1-2H,3H2,(H,12,13).
What are the key properties of 6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one has a molecular weight of 303.02 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one is sourced from PubChem (CID 169148999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).