4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine

C10H4Cl2FN3O2 — CID 115504731

IUPAC4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine
SMILESO=[N+]([O-])c1c(Cl)ncnc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H4Cl2FN3O2/c11-6-1-5(2-7(13)3-6)8-9(16(17)18)10(12)15-4-14-8/h1-4H
InChIKeyNVLSLMZPFTVIOD-UHFFFAOYSA-N
MW288.06 g/mol
LogP3.50
Rot. Bonds2

About 4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine

4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine (PubChem CID 115504731) has the molecular formula C10H4Cl2FN3O2 and a molecular weight of 288.06 g/mol. Its IUPAC name is 4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine
PubChem CID115504731
Molecular FormulaC10H4Cl2FN3O2
Molecular Weight288.06 g/mol
Exact Mass286.97
IUPAC Name4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine
SMILESO=[N+]([O-])c1c(Cl)ncnc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H4Cl2FN3O2/c11-6-1-5(2-7(13)3-6)8-9(16(17)18)10(12)15-4-14-8/h1-4H
InChIKeyNVLSLMZPFTVIOD-UHFFFAOYSA-N
XLogP3.50
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.06
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-nitropyrimidine
CID 107290412
4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine
CID 55169851
6-(3-fluoro-5-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine
CID 79691420
4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine
CID 24902118
1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene
CID 134623777
6-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5-nitropyrimidin-4-amine
CID 62614734
4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 102709028
6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine
CID 62101185
4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine
CID 114454482
4-chloro-6-(4-fluorophenyl)sulfanyl-5-nitropyrimidine
CID 62100722
6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine
CID 113324874
6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine
CID 107645593

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine?
The IUPAC name of 4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine (CID 115504731) is 4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine.
What is the SMILES notation for 4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine?
The canonical SMILES for 4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine is O=[N+]([O-])c1c(Cl)ncnc1-c1cc(F)cc(Cl)c1.
What is the InChIKey of 4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine?
The InChIKey is NVLSLMZPFTVIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2FN3O2/c11-6-1-5(2-7(13)3-6)8-9(16(17)18)10(12)15-4-14-8/h1-4H.
What are the key properties of 4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine?
4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine has a molecular weight of 288.06 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine is sourced from PubChem (CID 115504731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).