4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine

C10H4ClF2N3O3 — CID 55169851

IUPAC4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Oc1cc(F)ccc1F
InChIInChI=1S/C10H4ClF2N3O3/c11-9-8(16(17)18)10(15-4-14-9)19-7-3-5(12)1-2-6(7)13/h1-4H
InChIKeyHWJBFGRTJSIOOW-UHFFFAOYSA-N
MW287.61 g/mol
LogP3.11
Rot. Bonds3

About 4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine

4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine (PubChem CID 55169851) has the molecular formula C10H4ClF2N3O3 and a molecular weight of 287.61 g/mol. Its IUPAC name is 4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine
PubChem CID55169851
Molecular FormulaC10H4ClF2N3O3
Molecular Weight287.61 g/mol
Exact Mass286.99
IUPAC Name4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Oc1cc(F)ccc1F
InChIInChI=1S/C10H4ClF2N3O3/c11-9-8(16(17)18)10(15-4-14-9)19-7-3-5(12)1-2-6(7)13/h1-4H
InChIKeyHWJBFGRTJSIOOW-UHFFFAOYSA-N
XLogP3.11
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.61
LogP ≤ 53.11
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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Related Compounds

4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine
CID 107098107
4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine
CID 62101505
4-chloro-6-(2-methyl-5-nitrophenoxy)-5-nitropyrimidine
CID 62102493
4-chloro-6-(3,5-dimethylphenoxy)-5-nitropyrimidine
CID 23477233
4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine
CID 62102169
4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-5-nitropyrimidine
CID 62102170
6-(4-chloro-3,5-dimethylphenoxy)-N-(2,5-difluorophenyl)-5-nitropyrimidin-4-amine
CID 22537981
4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine
CID 115504731
6-(2,4-dichlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 112725350
6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine
CID 80876132
6-(2,5-dichlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 112725368
2-(2,5-difluorophenoxy)-5-nitropyridine
CID 118138295

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine?
The IUPAC name of 4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine (CID 55169851) is 4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine.
What is the SMILES notation for 4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine?
The canonical SMILES for 4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine is O=[N+]([O-])c1c(Cl)ncnc1Oc1cc(F)ccc1F.
What is the InChIKey of 4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine?
The InChIKey is HWJBFGRTJSIOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF2N3O3/c11-9-8(16(17)18)10(15-4-14-9)19-7-3-5(12)1-2-6(7)13/h1-4H.
What are the key properties of 4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine?
4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine has a molecular weight of 287.61 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine is sourced from PubChem (CID 55169851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).