4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine

C10H5ClFN3O2S — CID 62100722

IUPAC4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Sc1ccc(F)cc1
InChIInChI=1S/C10H5ClFN3O2S/c11-9-8(15(16)17)10(14-5-13-9)18-7-3-1-6(12)2-4-7/h1-5H
InChIKeyUVJZPTKWQIMEDX-UHFFFAOYSA-N
MW285.69 g/mol
LogP3.33
Rot. Bonds3

About 4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine

4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine (PubChem CID 62100722) has the molecular formula C10H5ClFN3O2S and a molecular weight of 285.69 g/mol. Its IUPAC name is 4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine
PubChem CID62100722
Molecular FormulaC10H5ClFN3O2S
Molecular Weight285.69 g/mol
Exact Mass284.98
IUPAC Name4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Sc1ccc(F)cc1
InChIInChI=1S/C10H5ClFN3O2S/c11-9-8(15(16)17)10(14-5-13-9)18-7-3-1-6(12)2-4-7/h1-5H
InChIKeyUVJZPTKWQIMEDX-UHFFFAOYSA-N
XLogP3.33
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 53.33
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

CID 2822060
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CID 2959049
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CID 4121200
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CID 11837238
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CID 35674725
CID 35674725
CID 38740864
CID 38740864
CID 38740869
CID 38740869
CID 38740944
CID 38740944
CID 40061599
CID 40061599
CID 55035440
CID 55035440
CID 60725981
CID 60725981
CID 60726006
CID 60726006

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine?
The IUPAC name of 4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine (CID 62100722) is 4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine.
What is the SMILES notation for 4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine?
The canonical SMILES for 4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine is O=[N+]([O-])c1c(Cl)ncnc1Sc1ccc(F)cc1.
What is the InChIKey of 4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine?
The InChIKey is UVJZPTKWQIMEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFN3O2S/c11-9-8(15(16)17)10(14-5-13-9)18-7-3-1-6(12)2-4-7/h1-5H.
What are the key properties of 4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine?
4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine has a molecular weight of 285.69 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine is sourced from PubChem (CID 62100722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).