2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine

C10H5ClIN3O3 — CID 113459430

IUPAC2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine
SMILESO=[N+]([O-])c1ccc(Oc2ncc(I)cn2)c(Cl)c1
InChIInChI=1S/C10H5ClIN3O3/c11-8-3-7(15(16)17)1-2-9(8)18-10-13-4-6(12)5-14-10/h1-5H
InChIKeyKZHUHRGLSZXJOE-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.44
Rot. Bonds3

About 2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine

2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine (PubChem CID 113459430) has the molecular formula C10H5ClIN3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine
PubChem CID113459430
Molecular FormulaC10H5ClIN3O3
Molecular Weight377.53 g/mol
Exact Mass376.91
IUPAC Name2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine
SMILESO=[N+]([O-])c1ccc(Oc2ncc(I)cn2)c(Cl)c1
InChIInChI=1S/C10H5ClIN3O3/c11-8-3-7(15(16)17)1-2-9(8)18-10-13-4-6(12)5-14-10/h1-5H
InChIKeyKZHUHRGLSZXJOE-UHFFFAOYSA-N
XLogP3.44
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloro-4-nitrophenoxy)-1,3-thiazole
CID 69491684
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
6-(2-chloro-4-nitrophenoxy)pyridin-3-amine
CID 114049044
2-chloro-4-(2-chloro-4-nitrophenoxy)-5-methylpyridine
CID 83268344
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
2-(2-chloro-4-nitrophenoxy)-5-nitrobenzonitrile
CID 4269103
2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine
CID 63963412
5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916898
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
(2-chloro-4-nitrophenyl) acetate
CID 14345185
1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125212
4-chloro-2-(2-chloro-4-nitrophenoxy)aniline
CID 67390461

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine (CID 113459430) is 2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine is O=[N+]([O-])c1ccc(Oc2ncc(I)cn2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine?
The InChIKey is KZHUHRGLSZXJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClIN3O3/c11-8-3-7(15(16)17)1-2-9(8)18-10-13-4-6(12)5-14-10/h1-5H.
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine?
2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine has a molecular weight of 377.53 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine is sourced from PubChem (CID 113459430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).