2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine

C10H4BrF2IN2O — CID 107099203

IUPAC2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine
SMILESFc1cc(Br)cc(Oc2ncc(I)cn2)c1F
InChIInChI=1S/C10H4BrF2IN2O/c11-5-1-7(12)9(13)8(2-5)17-10-15-3-6(14)4-16-10/h1-4H
InChIKeyPKFLXKHYILTHRG-UHFFFAOYSA-N
MW412.96 g/mol
LogP3.91
Rot. Bonds2

About 2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine

2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine (PubChem CID 107099203) has the molecular formula C10H4BrF2IN2O and a molecular weight of 412.96 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine
PubChem CID107099203
Molecular FormulaC10H4BrF2IN2O
Molecular Weight412.96 g/mol
Exact Mass411.85
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine
SMILESFc1cc(Br)cc(Oc2ncc(I)cn2)c1F
InChIInChI=1S/C10H4BrF2IN2O/c11-5-1-7(12)9(13)8(2-5)17-10-15-3-6(14)4-16-10/h1-4H
InChIKeyPKFLXKHYILTHRG-UHFFFAOYSA-N
XLogP3.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 107099157
5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine
CID 107099541
2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
CID 107099142
2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine
CID 104844305
4-bromo-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
CID 116649333
5-bromo-1-(3,3-dimethylbutoxy)-2,3-difluorobenzene
CID 107098584
5-bromo-1-but-3-ynoxy-2,3-difluorobenzene
CID 107098780
2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine
CID 107099173
4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine
CID 107099516
4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine
CID 107098123
1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 107100783
5-bromo-1,2-difluoro-3-(3,3,3-trifluoropropoxy)benzene
CID 107098938

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine (CID 107099203) is 2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine is Fc1cc(Br)cc(Oc2ncc(I)cn2)c1F.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine?
The InChIKey is PKFLXKHYILTHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrF2IN2O/c11-5-1-7(12)9(13)8(2-5)17-10-15-3-6(14)4-16-10/h1-4H.
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine?
2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine has a molecular weight of 412.96 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine is sourced from PubChem (CID 107099203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).