2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine

C14H12N2O2 — CID 104823179

IUPAC2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine
SMILESCc1ccc(/C=C(\c2ccccc2)[N+](=O)[O-])cn1
InChIInChI=1S/C14H12N2O2/c1-11-7-8-12(10-15-11)9-14(16(17)18)13-5-3-2-4-6-13/h2-10H,1H3/b14-9+
InChIKeyHWSOLMCRXZZFSY-NTEUORMPSA-N
MW240.26 g/mol
LogP3.16
Rot. Bonds3

About 2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine

2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine (PubChem CID 104823179) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine
PubChem CID104823179
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine
SMILESCc1ccc(/C=C(\c2ccccc2)[N+](=O)[O-])cn1
InChIInChI=1S/C14H12N2O2/c1-11-7-8-12(10-15-11)9-14(16(17)18)13-5-3-2-4-6-13/h2-10H,1H3/b14-9+
InChIKeyHWSOLMCRXZZFSY-NTEUORMPSA-N
XLogP3.16
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.16
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 2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine?
The IUPAC name of 2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine (CID 104823179) is 2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine.
What is the SMILES notation for 2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine?
The canonical SMILES for 2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine is Cc1ccc(/C=C(\c2ccccc2)[N+](=O)[O-])cn1.
What is the InChIKey of 2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine?
The InChIKey is HWSOLMCRXZZFSY-NTEUORMPSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-11-7-8-12(10-15-11)9-14(16(17)18)13-5-3-2-4-6-13/h2-10H,1H3/b14-9+.
What are the key properties of 2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine?
2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine has a molecular weight of 240.26 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine is sourced from PubChem (CID 104823179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).