2-(2,5-dichlorophenoxy)-5-iodopyrimidine

C10H5Cl2IN2O — CID 104839856

IUPAC2-(2,5-dichlorophenoxy)-5-iodopyrimidine
SMILESClc1ccc(Cl)c(Oc2ncc(I)cn2)c1
InChIInChI=1S/C10H5Cl2IN2O/c11-6-1-2-8(12)9(3-6)16-10-14-4-7(13)5-15-10/h1-5H
InChIKeyJHJWGKQSOBVZBK-UHFFFAOYSA-N
MW366.97 g/mol
LogP4.18
Rot. Bonds2

About 2-(2,5-dichlorophenoxy)-5-iodopyrimidine

2-(2,5-dichlorophenoxy)-5-iodopyrimidine (PubChem CID 104839856) has the molecular formula C10H5Cl2IN2O and a molecular weight of 366.97 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-5-iodopyrimidine.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-5-iodopyrimidine
PubChem CID104839856
Molecular FormulaC10H5Cl2IN2O
Molecular Weight366.97 g/mol
Exact Mass365.88
IUPAC Name2-(2,5-dichlorophenoxy)-5-iodopyrimidine
SMILESClc1ccc(Cl)c(Oc2ncc(I)cn2)c1
InChIInChI=1S/C10H5Cl2IN2O/c11-6-1-2-8(12)9(3-6)16-10-14-4-7(13)5-15-10/h1-5H
InChIKeyJHJWGKQSOBVZBK-UHFFFAOYSA-N
XLogP4.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.97
LogP ≤ 54.18
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

5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
CID 116649327
5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine
CID 83184065
[2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 83184031
2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine
CID 113459430
2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine
CID 116649173
4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline
CID 104606271
4-(2,5-dichlorophenoxy)quinolin-3-amine
CID 103963597
[5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine
CID 62296562
2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine
CID 104844164
5-chloro-2-(2-iodophenoxy)pyrimidine
CID 79556845
5-(2,5-dichlorophenoxy)pyridin-3-amine
CID 104536326
2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine
CID 104844305

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-5-iodopyrimidine?
The IUPAC name of 2-(2,5-dichlorophenoxy)-5-iodopyrimidine (CID 104839856) is 2-(2,5-dichlorophenoxy)-5-iodopyrimidine.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-5-iodopyrimidine?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-5-iodopyrimidine is Clc1ccc(Cl)c(Oc2ncc(I)cn2)c1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-5-iodopyrimidine?
The InChIKey is JHJWGKQSOBVZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2IN2O/c11-6-1-2-8(12)9(3-6)16-10-14-4-7(13)5-15-10/h1-5H.
What are the key properties of 2-(2,5-dichlorophenoxy)-5-iodopyrimidine?
2-(2,5-dichlorophenoxy)-5-iodopyrimidine has a molecular weight of 366.97 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-5-iodopyrimidine is sourced from PubChem (CID 104839856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).