4-(2,4-dibromophenoxy)-5-iodopyrimidine

C10H5Br2IN2O — CID 66319605

IUPAC4-(2,4-dibromophenoxy)-5-iodopyrimidine
SMILESBrc1ccc(Oc2ncncc2I)c(Br)c1
InChIInChI=1S/C10H5Br2IN2O/c11-6-1-2-9(7(12)3-6)16-10-8(13)4-14-5-15-10/h1-5H
InChIKeyNQKPDIGKTDZMOU-UHFFFAOYSA-N
MW455.88 g/mol
LogP4.40
Rot. Bonds2

About 4-(2,4-dibromophenoxy)-5-iodopyrimidine

4-(2,4-dibromophenoxy)-5-iodopyrimidine (PubChem CID 66319605) has the molecular formula C10H5Br2IN2O and a molecular weight of 455.88 g/mol. Its IUPAC name is 4-(2,4-dibromophenoxy)-5-iodopyrimidine.

Molecular Properties

Compound Name4-(2,4-dibromophenoxy)-5-iodopyrimidine
PubChem CID66319605
Molecular FormulaC10H5Br2IN2O
Molecular Weight455.88 g/mol
Exact Mass453.78
IUPAC Name4-(2,4-dibromophenoxy)-5-iodopyrimidine
SMILESBrc1ccc(Oc2ncncc2I)c(Br)c1
InChIInChI=1S/C10H5Br2IN2O/c11-6-1-2-9(7(12)3-6)16-10-8(13)4-14-5-15-10/h1-5H
InChIKeyNQKPDIGKTDZMOU-UHFFFAOYSA-N
XLogP4.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.88
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline
CID 66340607
4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
CID 104706575
4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine
CID 66319360
2-chloro-3-(2,4-dibromophenoxy)pyrazine
CID 64719536
5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine
CID 106999331
5-iodo-4-(3-methoxyphenoxy)pyrimidine
CID 66320020
2-(5-bromopyrimidin-4-yl)oxy-5-iodobenzoic acid
CID 107732425
[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64721342
5-iodo-4-(4-methylsulfanylphenoxy)pyrimidine
CID 66319830
5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine
CID 66321198
5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine
CID 106597704
[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol
CID 64721323

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dibromophenoxy)-5-iodopyrimidine?
The IUPAC name of 4-(2,4-dibromophenoxy)-5-iodopyrimidine (CID 66319605) is 4-(2,4-dibromophenoxy)-5-iodopyrimidine.
What is the SMILES notation for 4-(2,4-dibromophenoxy)-5-iodopyrimidine?
The canonical SMILES for 4-(2,4-dibromophenoxy)-5-iodopyrimidine is Brc1ccc(Oc2ncncc2I)c(Br)c1.
What is the InChIKey of 4-(2,4-dibromophenoxy)-5-iodopyrimidine?
The InChIKey is NQKPDIGKTDZMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2IN2O/c11-6-1-2-9(7(12)3-6)16-10-8(13)4-14-5-15-10/h1-5H.
What are the key properties of 4-(2,4-dibromophenoxy)-5-iodopyrimidine?
4-(2,4-dibromophenoxy)-5-iodopyrimidine has a molecular weight of 455.88 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dibromophenoxy)-5-iodopyrimidine is sourced from PubChem (CID 66319605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).