5-(6-fluoro-3-pyridinyl)-2-(4-methylphenyl)-3-nitropyridine

C17H12FN3O2 — CID 71079315

IUPAC5-(6-fluoro-3-pyridinyl)-2-(4-methylphenyl)-3-nitropyridine
SMILESCc1ccc(-c2ncc(-c3ccc(F)nc3)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H12FN3O2/c1-11-2-4-12(5-3-11)17-15(21(22)23)8-14(10-20-17)13-6-7-16(18)19-9-13/h2-10H,1H3
InChIKeyRMRMVMDXRWUUCJ-UHFFFAOYSA-N
MW309.30 g/mol
LogP4.17
Rot. Bonds3

About 5-(6-fluoro-3-pyridinyl)-2-(4-methylphenyl)-3-nitropyridine

5-(6-fluoro-3-pyridinyl)-2-(4-methylphenyl)-3-nitropyridine (PubChem CID 71079315) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 5-(6-fluoro-3-pyridinyl)-2-(4-methylphenyl)-3-nitropyridine.

Molecular Properties

Compound Name5-(6-fluoro-3-pyridinyl)-2-(4-methylphenyl)-3-nitropyridine
PubChem CID71079315
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name5-(6-fluoro-3-pyridinyl)-2-(4-methylphenyl)-3-nitropyridine
SMILESCc1ccc(-c2ncc(-c3ccc(F)nc3)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H12FN3O2/c1-11-2-4-12(5-3-11)17-15(21(22)23)8-14(10-20-17)13-6-7-16(18)19-9-13/h2-10H,1H3
InChIKeyRMRMVMDXRWUUCJ-UHFFFAOYSA-N
XLogP4.17
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-(6-fluoro-3-pyridinyl)-2-(4-methylphenyl)-3-nitropyridine?
The IUPAC name of 5-(6-fluoro-3-pyridinyl)-2-(4-methylphenyl)-3-nitropyridine (CID 71079315) is 5-(6-fluoro-3-pyridinyl)-2-(4-methylphenyl)-3-nitropyridine.
What is the SMILES notation for 5-(6-fluoro-3-pyridinyl)-2-(4-methylphenyl)-3-nitropyridine?
The canonical SMILES for 5-(6-fluoro-3-pyridinyl)-2-(4-methylphenyl)-3-nitropyridine is Cc1ccc(-c2ncc(-c3ccc(F)nc3)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 5-(6-fluoro-3-pyridinyl)-2-(4-methylphenyl)-3-nitropyridine?
The InChIKey is RMRMVMDXRWUUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c1-11-2-4-12(5-3-11)17-15(21(22)23)8-14(10-20-17)13-6-7-16(18)19-9-13/h2-10H,1H3.
What are the key properties of 5-(6-fluoro-3-pyridinyl)-2-(4-methylphenyl)-3-nitropyridine?
5-(6-fluoro-3-pyridinyl)-2-(4-methylphenyl)-3-nitropyridine has a molecular weight of 309.30 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-3-pyridinyl)-2-(4-methylphenyl)-3-nitropyridine is sourced from PubChem (CID 71079315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).