2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine

C13H10N2O3 — CID 122604466

IUPAC2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine
SMILESO=[N+]([O-])/C=C/c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C13H10N2O3/c16-15(17)9-7-11-4-3-5-12(10-11)18-13-6-1-2-8-14-13/h1-10H/b9-7+
InChIKeyRZVSUKZPJMSSNJ-VQHVLOKHSA-N
MW242.23 g/mol
LogP3.12
Rot. Bonds4

About 2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine

2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine (PubChem CID 122604466) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine.

Molecular Properties

Compound Name2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine
PubChem CID122604466
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine
SMILESO=[N+]([O-])/C=C/c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C13H10N2O3/c16-15(17)9-7-11-4-3-5-12(10-11)18-13-6-1-2-8-14-13/h1-10H/b9-7+
InChIKeyRZVSUKZPJMSSNJ-VQHVLOKHSA-N
XLogP3.12
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 53.12
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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Related Compounds

4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol
CID 155241
4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-pyridine
CID 11957947
2-Phenoxynicotinonitrile
CID 84242
4-(Benzyloxy)pyridine N-oxide
CID 295871
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
[2-(4-Fluorophenoxy)pyridin-4-yl]methanamine
CID 16794320
(2-Phenoxypyridin-4-yl)methanamine hydrochloride
CID 122163387
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
3-Cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine
CID 68511788
3-[(4-Nitrophenyl)methoxy]pyridine
CID 1503576
4-[2-(3,4-Dimethoxy-phenyl)-vinyl]-pyridine
CID 703616
2-(4-Benzyloxyphenoxy)-5-nitropyridine
CID 2799698

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine?
The IUPAC name of 2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine (CID 122604466) is 2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine.
What is the SMILES notation for 2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine?
The canonical SMILES for 2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine is O=[N+]([O-])/C=C/c1cccc(Oc2ccccn2)c1.
What is the InChIKey of 2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine?
The InChIKey is RZVSUKZPJMSSNJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-15(17)9-7-11-4-3-5-12(10-11)18-13-6-1-2-8-14-13/h1-10H/b9-7+.
What are the key properties of 2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine?
2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine has a molecular weight of 242.23 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-2-nitroethenyl]phenoxy]pyridine is sourced from PubChem (CID 122604466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).