2-chloro-4-(2-fluoroethoxy)-5-nitropyrimidine

C6H5ClFN3O3 — CID 122551188

IUPAC2-chloro-4-(2-fluoroethoxy)-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(Cl)nc1OCCF
InChIInChI=1S/C6H5ClFN3O3/c7-6-9-3-4(11(12)13)5(10-6)14-2-1-8/h3H,1-2H2
InChIKeyAYGAZNFZYPJVTL-UHFFFAOYSA-N
MW221.57 g/mol
LogP1.39
Rot. Bonds4

About 2-chloro-4-(2-fluoroethoxy)-5-nitropyrimidine

2-chloro-4-(2-fluoroethoxy)-5-nitropyrimidine (PubChem CID 122551188) has the molecular formula C6H5ClFN3O3 and a molecular weight of 221.57 g/mol. Its IUPAC name is 2-chloro-4-(2-fluoroethoxy)-5-nitropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-fluoroethoxy)-5-nitropyrimidine
PubChem CID122551188
Molecular FormulaC6H5ClFN3O3
Molecular Weight221.57 g/mol
Exact Mass221.00
IUPAC Name2-chloro-4-(2-fluoroethoxy)-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(Cl)nc1OCCF
InChIInChI=1S/C6H5ClFN3O3/c7-6-9-3-4(11(12)13)5(10-6)14-2-1-8/h3H,1-2H2
InChIKeyAYGAZNFZYPJVTL-UHFFFAOYSA-N
XLogP1.39
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.57
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 2-chloro-4-(2-fluoroethoxy)-5-nitropyrimidine?
The IUPAC name of 2-chloro-4-(2-fluoroethoxy)-5-nitropyrimidine (CID 122551188) is 2-chloro-4-(2-fluoroethoxy)-5-nitropyrimidine.
What is the SMILES notation for 2-chloro-4-(2-fluoroethoxy)-5-nitropyrimidine?
The canonical SMILES for 2-chloro-4-(2-fluoroethoxy)-5-nitropyrimidine is O=[N+]([O-])c1cnc(Cl)nc1OCCF.
What is the InChIKey of 2-chloro-4-(2-fluoroethoxy)-5-nitropyrimidine?
The InChIKey is AYGAZNFZYPJVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFN3O3/c7-6-9-3-4(11(12)13)5(10-6)14-2-1-8/h3H,1-2H2.
What are the key properties of 2-chloro-4-(2-fluoroethoxy)-5-nitropyrimidine?
2-chloro-4-(2-fluoroethoxy)-5-nitropyrimidine has a molecular weight of 221.57 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-fluoroethoxy)-5-nitropyrimidine is sourced from PubChem (CID 122551188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).