3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one

C11H6ClFINO2 — CID 142597368

IUPAC3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1Oc1cc(I)c(F)cc1Cl
InChIInChI=1S/C11H6ClFINO2/c12-6-4-7(13)8(14)5-10(6)17-9-2-1-3-15-11(9)16/h1-5H,(H,15,16)
InChIKeyFXBGVIKGNUZEKO-UHFFFAOYSA-N
MW365.53 g/mol
LogP3.56
Rot. Bonds2

About 3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one

3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one (PubChem CID 142597368) has the molecular formula C11H6ClFINO2 and a molecular weight of 365.53 g/mol. Its IUPAC name is 3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one
PubChem CID142597368
Molecular FormulaC11H6ClFINO2
Molecular Weight365.53 g/mol
Exact Mass364.91
IUPAC Name3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1Oc1cc(I)c(F)cc1Cl
InChIInChI=1S/C11H6ClFINO2/c12-6-4-7(13)8(14)5-10(6)17-9-2-1-3-15-11(9)16/h1-5H,(H,15,16)
InChIKeyFXBGVIKGNUZEKO-UHFFFAOYSA-N
XLogP3.56
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171002131
1-chloro-5-fluoro-4-iodo-2-methoxybenzene
CID 22625607
5-chloro-4-fluoro-2-(2-iodophenoxy)aniline
CID 66078879
1-fluoro-2-(2-iodophenoxy)benzene
CID 11849671
N-(3-chloro-4-fluorophenyl)-2-[(2-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82055980
3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one
CID 91482567
3-methoxy-1H-pyridin-2-one;hydrate
CID 90189833
3-[(2-fluorophenyl)methoxy]-1H-pyridin-2-one
CID 82056014
methyl 4-bromo-2-fluoro-6-(2-iodophenoxy)benzoate
CID 166637684
5-chloro-4-(2-fluorophenoxy)-2-methylaniline
CID 153180265
5-chloro-6-(2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344349
4-chloro-2-(2-iodophenoxy)aniline
CID 115469275

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one?
The IUPAC name of 3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one (CID 142597368) is 3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one is O=c1[nH]cccc1Oc1cc(I)c(F)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one?
The InChIKey is FXBGVIKGNUZEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFINO2/c12-6-4-7(13)8(14)5-10(6)17-9-2-1-3-15-11(9)16/h1-5H,(H,15,16).
What are the key properties of 3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one?
3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one has a molecular weight of 365.53 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluoro-5-iodophenoxy)-1H-pyridin-2-one is sourced from PubChem (CID 142597368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).