2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine

C11H8FIN2O — CID 104844164

IUPAC2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine
SMILESCc1cc(Oc2ncc(I)cn2)ccc1F
InChIInChI=1S/C11H8FIN2O/c1-7-4-9(2-3-10(7)12)16-11-14-5-8(13)6-15-11/h2-6H,1H3
InChIKeyQGSBXDBFCSUXEC-UHFFFAOYSA-N
MW330.10 g/mol
LogP3.32
Rot. Bonds2

About 2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine

2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine (PubChem CID 104844164) has the molecular formula C11H8FIN2O and a molecular weight of 330.10 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine
PubChem CID104844164
Molecular FormulaC11H8FIN2O
Molecular Weight330.10 g/mol
Exact Mass329.97
IUPAC Name2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine
SMILESCc1cc(Oc2ncc(I)cn2)ccc1F
InChIInChI=1S/C11H8FIN2O/c1-7-4-9(2-3-10(7)12)16-11-14-5-8(13)6-15-11/h2-6H,1H3
InChIKeyQGSBXDBFCSUXEC-UHFFFAOYSA-N
XLogP3.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.10
LogP ≤ 53.32
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-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine
CID 104844305
2-(4-fluorophenoxy)-5-iodopyrimidine
CID 104839781
[2-(4-fluoro-3-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83196037
2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine
CID 107168482
2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine
CID 116797983
2-(3,4-difluorophenoxy)pyrimidin-5-amine
CID 82234847
2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine
CID 116649173
N-[[2-(4-fluoro-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83188621
5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 13336606
3-(4-fluoro-3-methylphenoxy)-1,4,5-trimethylpyrazole
CID 171826048
(1R)-1-[5-(4-fluoro-3-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 103939285
5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine
CID 104843800

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine?
The IUPAC name of 2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine (CID 104844164) is 2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine.
What is the SMILES notation for 2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine?
The canonical SMILES for 2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine is Cc1cc(Oc2ncc(I)cn2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine?
The InChIKey is QGSBXDBFCSUXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FIN2O/c1-7-4-9(2-3-10(7)12)16-11-14-5-8(13)6-15-11/h2-6H,1H3.
What are the key properties of 2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine?
2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine has a molecular weight of 330.10 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine is sourced from PubChem (CID 104844164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).