4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one

C10H5BrFIN2O2 — CID 114574415

IUPAC4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2cc(F)ccc2Br)c1I
InChIInChI=1S/C10H5BrFIN2O2/c11-6-2-1-5(12)3-7(6)17-10-8(13)9(16)14-4-15-10/h1-4H,(H,14,15,16)
InChIKeyBOBWFGFIXQCEJU-UHFFFAOYSA-N
MW410.97 g/mol
LogP3.07
Rot. Bonds2

About 4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one

4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one (PubChem CID 114574415) has the molecular formula C10H5BrFIN2O2 and a molecular weight of 410.97 g/mol. Its IUPAC name is 4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
PubChem CID114574415
Molecular FormulaC10H5BrFIN2O2
Molecular Weight410.97 g/mol
Exact Mass409.86
IUPAC Name4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2cc(F)ccc2Br)c1I
InChIInChI=1S/C10H5BrFIN2O2/c11-6-2-1-5(12)3-7(6)17-10-8(13)9(16)14-4-15-10/h1-4H,(H,14,15,16)
InChIKeyBOBWFGFIXQCEJU-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'}

Analyze 4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574406
4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574379
4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114578870
4-(4-amino-2,5-difluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114578763
5-iodo-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 107732466
5-iodo-4-(2-methoxy-4-methylphenoxy)-1H-pyrimidin-6-one
CID 114676066
4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one
CID 114791080
5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676539
3-(2-bromo-4-fluorophenoxy)-1H-pyrazin-2-one
CID 114570730
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)oxy]-4-fluorobenzoic acid
CID 107016574
4-(3-amino-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114252553
5-bromo-6-(2-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073540

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one (CID 114574415) is 4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(Oc2cc(F)ccc2Br)c1I.
What is the InChIKey of 4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is BOBWFGFIXQCEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFIN2O2/c11-6-2-1-5(12)3-7(6)17-10-8(13)9(16)14-4-15-10/h1-4H,(H,14,15,16).
What are the key properties of 4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one?
4-(2-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-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114574415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).