5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine

C11H8FN3O2 — CID 177331778

IUPAC5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine
SMILESCc1cc(-c2ncc(F)cn2)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H8FN3O2/c1-7-2-8(4-10(3-7)15(16)17)11-13-5-9(12)6-14-11/h2-6H,1H3
InChIKeySENYNKUSOTYRGZ-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.50
Rot. Bonds2

About 5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine

5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine (PubChem CID 177331778) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine
PubChem CID177331778
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Name5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine
SMILESCc1cc(-c2ncc(F)cn2)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H8FN3O2/c1-7-2-8(4-10(3-7)15(16)17)11-13-5-9(12)6-14-11/h2-6H,1H3
InChIKeySENYNKUSOTYRGZ-UHFFFAOYSA-N
XLogP2.50
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine?
The IUPAC name of 5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine (CID 177331778) is 5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine is Cc1cc(-c2ncc(F)cn2)cc([N+](=O)[O-])c1.
What is the InChIKey of 5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine?
The InChIKey is SENYNKUSOTYRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c1-7-2-8(4-10(3-7)15(16)17)11-13-5-9(12)6-14-11/h2-6H,1H3.
What are the key properties of 5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine?
5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine has a molecular weight of 233.20 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine is sourced from PubChem (CID 177331778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).