6-ethenyl-2-nitro-3-phenylmethoxypyridine

C14H12N2O3 — CID 69479018

IUPAC6-ethenyl-2-nitro-3-phenylmethoxypyridine
SMILESC=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])n1
InChIInChI=1S/C14H12N2O3/c1-2-12-8-9-13(14(15-12)16(17)18)19-10-11-6-4-3-5-7-11/h2-9H,1,10H2
InChIKeyCFNSKSIRYCZQJF-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.21
Rot. Bonds5

About 6-ethenyl-2-nitro-3-phenylmethoxypyridine

6-ethenyl-2-nitro-3-phenylmethoxypyridine (PubChem CID 69479018) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 6-ethenyl-2-nitro-3-phenylmethoxypyridine.

Molecular Properties

Compound Name6-ethenyl-2-nitro-3-phenylmethoxypyridine
PubChem CID69479018
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name6-ethenyl-2-nitro-3-phenylmethoxypyridine
SMILESC=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])n1
InChIInChI=1S/C14H12N2O3/c1-2-12-8-9-13(14(15-12)16(17)18)19-10-11-6-4-3-5-7-11/h2-9H,1,10H2
InChIKeyCFNSKSIRYCZQJF-UHFFFAOYSA-N
XLogP3.21
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-ethenyl-2-nitro-3-phenylmethoxypyridine?
The IUPAC name of 6-ethenyl-2-nitro-3-phenylmethoxypyridine (CID 69479018) is 6-ethenyl-2-nitro-3-phenylmethoxypyridine.
What is the SMILES notation for 6-ethenyl-2-nitro-3-phenylmethoxypyridine?
The canonical SMILES for 6-ethenyl-2-nitro-3-phenylmethoxypyridine is C=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])n1.
What is the InChIKey of 6-ethenyl-2-nitro-3-phenylmethoxypyridine?
The InChIKey is CFNSKSIRYCZQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-2-12-8-9-13(14(15-12)16(17)18)19-10-11-6-4-3-5-7-11/h2-9H,1,10H2.
What are the key properties of 6-ethenyl-2-nitro-3-phenylmethoxypyridine?
6-ethenyl-2-nitro-3-phenylmethoxypyridine has a molecular weight of 256.26 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-nitro-3-phenylmethoxypyridine is sourced from PubChem (CID 69479018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).