4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine

C12H9FN2O2 — CID 66714730

IUPAC4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine
SMILESCc1cc([N+](=O)[O-])ccc1-c1cnccc1F
InChIInChI=1S/C12H9FN2O2/c1-8-6-9(15(16)17)2-3-10(8)11-7-14-5-4-12(11)13/h2-7H,1H3
InChIKeyMZOLIBLLKFSXAM-UHFFFAOYSA-N
MW232.21 g/mol
LogP3.10
Rot. Bonds2

About 4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine

4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine (PubChem CID 66714730) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine.

Molecular Properties

Compound Name4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine
PubChem CID66714730
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine
SMILESCc1cc([N+](=O)[O-])ccc1-c1cnccc1F
InChIInChI=1S/C12H9FN2O2/c1-8-6-9(15(16)17)2-3-10(8)11-7-14-5-4-12(11)13/h2-7H,1H3
InChIKeyMZOLIBLLKFSXAM-UHFFFAOYSA-N
XLogP3.10
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-Nitroisoquinoline
CID 69085
4-(4-Nitrobenzyl)pyridine
CID 14129
2-[(2,4-Dinitrophenyl)methyl]pyridine
CID 70854
2-(4-Nitrophenyl)-3-(3-pyridinyl)acrylonitrile
CID 5742183
N,N-dimethyl-4-(pyridin-4-yl)aniline
CID 227783
4-[2-(3-Nitrophenyl)ethenyl]pyridine
CID 788684
Pyridine, 2-((4-nitrophenyl)methyl)-
CID 69292
4-(4-Nitrophenyl)pyridine
CID 259219
2-(3-Nitrophenyl)pyridine
CID 459555
2-(4-Nitrophenyl)pyridine
CID 459556
2-[(E)-2-(4-nitrophenyl)vinyl]pyridine
CID 5376482
1-methyl-2-[(E)-2-(4-nitrophenyl)vinyl]pyridinium
CID 5722076

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine?
The IUPAC name of 4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine (CID 66714730) is 4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine.
What is the SMILES notation for 4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine?
The canonical SMILES for 4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine is Cc1cc([N+](=O)[O-])ccc1-c1cnccc1F.
What is the InChIKey of 4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine?
The InChIKey is MZOLIBLLKFSXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-8-6-9(15(16)17)2-3-10(8)11-7-14-5-4-12(11)13/h2-7H,1H3.
What are the key properties of 4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine?
4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine has a molecular weight of 232.21 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine is sourced from PubChem (CID 66714730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).