3-methyl-5-nitro-2-(2-phenylphenyl)pyridine

C18H14N2O2 — CID 86690158

IUPAC3-methyl-5-nitro-2-(2-phenylphenyl)pyridine
SMILESCc1cc([N+](=O)[O-])cnc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C18H14N2O2/c1-13-11-15(20(21)22)12-19-18(13)17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyAXLSOGORHMRRGD-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.63
Rot. Bonds3

About 3-methyl-5-nitro-2-(2-phenylphenyl)pyridine

3-methyl-5-nitro-2-(2-phenylphenyl)pyridine (PubChem CID 86690158) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-methyl-5-nitro-2-(2-phenylphenyl)pyridine.

Molecular Properties

Compound Name3-methyl-5-nitro-2-(2-phenylphenyl)pyridine
PubChem CID86690158
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name3-methyl-5-nitro-2-(2-phenylphenyl)pyridine
SMILESCc1cc([N+](=O)[O-])cnc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C18H14N2O2/c1-13-11-15(20(21)22)12-19-18(13)17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyAXLSOGORHMRRGD-UHFFFAOYSA-N
XLogP4.63
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.63
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-nitro-2-(2-phenylphenyl)pyridine?
The IUPAC name of 3-methyl-5-nitro-2-(2-phenylphenyl)pyridine (CID 86690158) is 3-methyl-5-nitro-2-(2-phenylphenyl)pyridine.
What is the SMILES notation for 3-methyl-5-nitro-2-(2-phenylphenyl)pyridine?
The canonical SMILES for 3-methyl-5-nitro-2-(2-phenylphenyl)pyridine is Cc1cc([N+](=O)[O-])cnc1-c1ccccc1-c1ccccc1.
What is the InChIKey of 3-methyl-5-nitro-2-(2-phenylphenyl)pyridine?
The InChIKey is AXLSOGORHMRRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-13-11-15(20(21)22)12-19-18(13)17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-12H,1H3.
What are the key properties of 3-methyl-5-nitro-2-(2-phenylphenyl)pyridine?
3-methyl-5-nitro-2-(2-phenylphenyl)pyridine has a molecular weight of 290.32 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-nitro-2-(2-phenylphenyl)pyridine is sourced from PubChem (CID 86690158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).