2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine

C12H10ClIN2O — CID 116649173

IUPAC2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine
SMILESCCc1cc(Oc2ncc(I)cn2)ccc1Cl
InChIInChI=1S/C12H10ClIN2O/c1-2-8-5-10(3-4-11(8)13)17-12-15-6-9(14)7-16-12/h3-7H,2H2,1H3
InChIKeyYBSLNPWDJJFBRI-UHFFFAOYSA-N
MW360.58 g/mol
LogP4.09
Rot. Bonds3

About 2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine

2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine (PubChem CID 116649173) has the molecular formula C12H10ClIN2O and a molecular weight of 360.58 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine
PubChem CID116649173
Molecular FormulaC12H10ClIN2O
Molecular Weight360.58 g/mol
Exact Mass359.95
IUPAC Name2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine
SMILESCCc1cc(Oc2ncc(I)cn2)ccc1Cl
InChIInChI=1S/C12H10ClIN2O/c1-2-8-5-10(3-4-11(8)13)17-12-15-6-9(14)7-16-12/h3-7H,2H2,1H3
InChIKeyYBSLNPWDJJFBRI-UHFFFAOYSA-N
XLogP4.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.58
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine (CID 116649173) is 2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine is CCc1cc(Oc2ncc(I)cn2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine?
The InChIKey is YBSLNPWDJJFBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2O/c1-2-8-5-10(3-4-11(8)13)17-12-15-6-9(14)7-16-12/h3-7H,2H2,1H3.
What are the key properties of 2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine?
2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine has a molecular weight of 360.58 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine is sourced from PubChem (CID 116649173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).