5-(2-chloroethoxy)-2-(5-nitrofuran-2-yl)pyrimidine

C10H8ClN3O4 — CID 91621180

IUPAC5-(2-chloroethoxy)-2-(5-nitrofuran-2-yl)pyrimidine
SMILESO=[N+]([O-])c1ccc(-c2ncc(OCCCl)cn2)o1
InChIInChI=1S/C10H8ClN3O4/c11-3-4-17-7-5-12-10(13-6-7)8-1-2-9(18-8)14(15)16/h1-2,5-6H,3-4H2
InChIKeyMIGPULZVFVDCEU-UHFFFAOYSA-N
MW269.64 g/mol
LogP2.26
Rot. Bonds5

About 5-(2-chloroethoxy)-2-(5-nitrofuran-2-yl)pyrimidine

5-(2-chloroethoxy)-2-(5-nitrofuran-2-yl)pyrimidine (PubChem CID 91621180) has the molecular formula C10H8ClN3O4 and a molecular weight of 269.64 g/mol. Its IUPAC name is 5-(2-chloroethoxy)-2-(5-nitrofuran-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(2-chloroethoxy)-2-(5-nitrofuran-2-yl)pyrimidine
PubChem CID91621180
Molecular FormulaC10H8ClN3O4
Molecular Weight269.64 g/mol
Exact Mass269.02
IUPAC Name5-(2-chloroethoxy)-2-(5-nitrofuran-2-yl)pyrimidine
SMILESO=[N+]([O-])c1ccc(-c2ncc(OCCCl)cn2)o1
InChIInChI=1S/C10H8ClN3O4/c11-3-4-17-7-5-12-10(13-6-7)8-1-2-9(18-8)14(15)16/h1-2,5-6H,3-4H2
InChIKeyMIGPULZVFVDCEU-UHFFFAOYSA-N
XLogP2.26
TPSA91.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.64
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethoxy)-2-(5-nitrofuran-2-yl)pyrimidine?
The IUPAC name of 5-(2-chloroethoxy)-2-(5-nitrofuran-2-yl)pyrimidine (CID 91621180) is 5-(2-chloroethoxy)-2-(5-nitrofuran-2-yl)pyrimidine.
What is the SMILES notation for 5-(2-chloroethoxy)-2-(5-nitrofuran-2-yl)pyrimidine?
The canonical SMILES for 5-(2-chloroethoxy)-2-(5-nitrofuran-2-yl)pyrimidine is O=[N+]([O-])c1ccc(-c2ncc(OCCCl)cn2)o1.
What is the InChIKey of 5-(2-chloroethoxy)-2-(5-nitrofuran-2-yl)pyrimidine?
The InChIKey is MIGPULZVFVDCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O4/c11-3-4-17-7-5-12-10(13-6-7)8-1-2-9(18-8)14(15)16/h1-2,5-6H,3-4H2.
What are the key properties of 5-(2-chloroethoxy)-2-(5-nitrofuran-2-yl)pyrimidine?
5-(2-chloroethoxy)-2-(5-nitrofuran-2-yl)pyrimidine has a molecular weight of 269.64 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethoxy)-2-(5-nitrofuran-2-yl)pyrimidine is sourced from PubChem (CID 91621180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).