bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine

C17H12N2O3 — CID 174798016

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1ccccc1Oc1ccccn1.c1cc2ccc1-2
InChIInChI=1S/C11H8N2O3.C6H4/c14-13(15)9-5-1-2-6-10(9)16-11-7-3-4-8-12-11;1-2-6-4-3-5(1)6/h1-8H;1-4H
InChIKeyYETVTTLXPVLEAP-UHFFFAOYSA-N
MW292.29 g/mol
LogP4.45
Rot. Bonds3

About bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine

bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine (PubChem CID 174798016) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine
PubChem CID174798016
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1ccccc1Oc1ccccn1.c1cc2ccc1-2
InChIInChI=1S/C11H8N2O3.C6H4/c14-13(15)9-5-1-2-6-10(9)16-11-7-3-4-8-12-11;1-2-6-4-3-5(1)6/h1-8H;1-4H
InChIKeyYETVTTLXPVLEAP-UHFFFAOYSA-N
XLogP4.45
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 54.45
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

2-nitro-3-pyridin-2-yloxyphenol
CID 19008594
3-bromo-2-(2-nitrophenoxy)pyridine
CID 61373940
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine
CID 175178315
6-(2-nitrophenoxy)pyridazin-3-amine
CID 14294312
6-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915069
6-(2-nitrophenoxy)pyridine-2-carbonitrile
CID 64596158
2-[2-(2-nitrophenoxy)ethyl]pyridine
CID 68857749
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
2-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915747
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine (CID 174798016) is bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine is O=[N+]([O-])c1ccccc1Oc1ccccn1.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine?
The InChIKey is YETVTTLXPVLEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3.C6H4/c14-13(15)9-5-1-2-6-10(9)16-11-7-3-4-8-12-11;1-2-6-4-3-5(1)6/h1-8H;1-4H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine?
bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine has a molecular weight of 292.29 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine is sourced from PubChem (CID 174798016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).