2-(4-fluorophenyl)-5-methyl-3-nitropyridine

C12H9FN2O2 — CID 46313040

IUPAC2-(4-fluorophenyl)-5-methyl-3-nitropyridine
SMILESCc1cnc(-c2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9FN2O2/c1-8-6-11(15(16)17)12(14-7-8)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKeySAJCCKHFRBTRSK-UHFFFAOYSA-N
MW232.21 g/mol
LogP3.10
Rot. Bonds2

About 2-(4-fluorophenyl)-5-methyl-3-nitropyridine

2-(4-fluorophenyl)-5-methyl-3-nitropyridine (PubChem CID 46313040) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-3-nitropyridine
PubChem CID46313040
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name2-(4-fluorophenyl)-5-methyl-3-nitropyridine
SMILESCc1cnc(-c2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9FN2O2/c1-8-6-11(15(16)17)12(14-7-8)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKeySAJCCKHFRBTRSK-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

2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine
CID 71079266
1-(4-fluorophenyl)-4-methyl-2-nitrobenzene
CID 46314619
2,5-dimethyl-3-nitropyridine
CID 12626468
2-(2,5-dichlorophenyl)-5-methyl-3-nitropyridine
CID 118819253
2-chloro-5-methyl-3-nitropyridine
CID 139082293
4-fluoro-1-(4-methylphenyl)-2-nitrobenzene
CID 67753587
3-(4-fluorophenyl)-5-methyl-4-nitro-1,2-oxazole
CID 154708968
3,5-dinitro-2-phenylpyridine
CID 14948543
3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine
CID 105368287
2-(3-fluoro-4-methylphenyl)-3-nitropyridine
CID 22106528
4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole
CID 155538929
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-nitropyridine?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-nitropyridine (CID 46313040) is 2-(4-fluorophenyl)-5-methyl-3-nitropyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-3-nitropyridine?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-3-nitropyridine is Cc1cnc(-c2ccc(F)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-3-nitropyridine?
The InChIKey is SAJCCKHFRBTRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-8-6-11(15(16)17)12(14-7-8)9-2-4-10(13)5-3-9/h2-7H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-3-nitropyridine?
2-(4-fluorophenyl)-5-methyl-3-nitropyridine 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 2-(4-fluorophenyl)-5-methyl-3-nitropyridine is sourced from PubChem (CID 46313040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).