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

C10H5BrClIN2O2 — CID 114574379

IUPAC4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2cc(Br)ccc2Cl)c1I
InChIInChI=1S/C10H5BrClIN2O2/c11-5-1-2-6(12)7(3-5)17-10-8(13)9(16)14-4-15-10/h1-4H,(H,14,15,16)
InChIKeySSFGKTNNIVQQFJ-UHFFFAOYSA-N
MW427.42 g/mol
LogP3.58
Rot. Bonds2

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

4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one (PubChem CID 114574379) has the molecular formula C10H5BrClIN2O2 and a molecular weight of 427.42 g/mol. Its IUPAC name is 4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one
PubChem CID114574379
Molecular FormulaC10H5BrClIN2O2
Molecular Weight427.42 g/mol
Exact Mass425.83
IUPAC Name4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2cc(Br)ccc2Cl)c1I
InChIInChI=1S/C10H5BrClIN2O2/c11-5-1-2-6(12)7(3-5)17-10-8(13)9(16)14-4-15-10/h1-4H,(H,14,15,16)
InChIKeySSFGKTNNIVQQFJ-UHFFFAOYSA-N
XLogP3.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 53.58
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

4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574415
4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one
CID 114676189
4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114578870
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-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574406
5-chloro-4-(2-chloro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 114676397
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
2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063534
4-(3-amino-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114252553
5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
CID 114676042

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one (CID 114574379) is 4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(Oc2cc(Br)ccc2Cl)c1I.
What is the InChIKey of 4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is SSFGKTNNIVQQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClIN2O2/c11-5-1-2-6(12)7(3-5)17-10-8(13)9(16)14-4-15-10/h1-4H,(H,14,15,16).
What are the key properties of 4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one?
4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 427.42 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114574379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).