4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one

C10H5BrFIN2O2 — CID 114574406

IUPAC4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2cc(F)cc(Br)c2)c1I
InChIInChI=1S/C10H5BrFIN2O2/c11-5-1-6(12)3-7(2-5)17-10-8(13)9(16)14-4-15-10/h1-4H,(H,14,15,16)
InChIKeyHAKXGTLJKXVNFH-UHFFFAOYSA-N
MW410.97 g/mol
LogP3.07
Rot. Bonds2

About 4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one

4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one (PubChem CID 114574406) has the molecular formula C10H5BrFIN2O2 and a molecular weight of 410.97 g/mol. Its IUPAC name is 4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
PubChem CID114574406
Molecular FormulaC10H5BrFIN2O2
Molecular Weight410.97 g/mol
Exact Mass409.86
IUPAC Name4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2cc(F)cc(Br)c2)c1I
InChIInChI=1S/C10H5BrFIN2O2/c11-5-1-6(12)3-7(2-5)17-10-8(13)9(16)14-4-15-10/h1-4H,(H,14,15,16)
InChIKeyHAKXGTLJKXVNFH-UHFFFAOYSA-N
XLogP3.07
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.97
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one
CID 114570741
4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574415
5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
CID 114676042
6-(3-bromo-5-fluorophenoxy)-2-chloro-7H-purine
CID 104697450
4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574379
4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one
CID 114676453
4-(4-amino-2,5-difluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114578763
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide
CID 103568127
4-(3-amino-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114252553
3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile
CID 81332179
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585606
5-iodo-4-(3-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 114675961

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one (CID 114574406) is 4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(Oc2cc(F)cc(Br)c2)c1I.
What is the InChIKey of 4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is HAKXGTLJKXVNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFIN2O2/c11-5-1-6(12)3-7(2-5)17-10-8(13)9(16)14-4-15-10/h1-4H,(H,14,15,16).
What are the key properties of 4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one?
4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 410.97 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114574406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).