2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine

C10H5BrFIN2O — CID 104844305

IUPAC2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine
SMILESFc1ccc(Oc2ncc(I)cn2)cc1Br
InChIInChI=1S/C10H5BrFIN2O/c11-8-3-7(1-2-9(8)12)16-10-14-4-6(13)5-15-10/h1-5H
InChIKeyHCQOKLBXALKHSZ-UHFFFAOYSA-N
MW394.97 g/mol
LogP3.78
Rot. Bonds2

About 2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine

2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine (PubChem CID 104844305) has the molecular formula C10H5BrFIN2O and a molecular weight of 394.97 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine
PubChem CID104844305
Molecular FormulaC10H5BrFIN2O
Molecular Weight394.97 g/mol
Exact Mass393.86
IUPAC Name2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine
SMILESFc1ccc(Oc2ncc(I)cn2)cc1Br
InChIInChI=1S/C10H5BrFIN2O/c11-8-3-7(1-2-9(8)12)16-10-14-4-6(13)5-15-10/h1-5H
InChIKeyHCQOKLBXALKHSZ-UHFFFAOYSA-N
XLogP3.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.97
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine 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

2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine
CID 104844164
2-(4-fluorophenoxy)-5-iodopyrimidine
CID 104839781
2-(3-bromo-4-fluorophenoxy)quinazoline
CID 114788785
5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine
CID 83235339
2-(3-bromo-4-fluorophenoxy)-5-chloropyridine
CID 83233863
5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine
CID 106999263
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
2-(3,4-difluorophenoxy)pyrimidin-5-amine
CID 82234847
4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine
CID 83231218
3-bromo-4-(3-bromo-4-fluorophenoxy)pyridine
CID 104776674
2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine
CID 107099203
5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 13336606

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine (CID 104844305) is 2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine is Fc1ccc(Oc2ncc(I)cn2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine?
The InChIKey is HCQOKLBXALKHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFIN2O/c11-8-3-7(1-2-9(8)12)16-10-14-4-6(13)5-15-10/h1-5H.
What are the key properties of 2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine?
2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine has a molecular weight of 394.97 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine is sourced from PubChem (CID 104844305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).