4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine

C13H9N3O3 — CID 58190627

IUPAC4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine
SMILESO=[N+]([O-])c1ccc(Oc2ccnn3cccc23)cc1
InChIInChI=1S/C13H9N3O3/c17-16(18)10-3-5-11(6-4-10)19-13-7-8-14-15-9-1-2-12(13)15/h1-9H
InChIKeyOCMVESRHSYDXEU-UHFFFAOYSA-N
MW255.23 g/mol
LogP3.03
Rot. Bonds3

About 4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine

4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine (PubChem CID 58190627) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine
PubChem CID58190627
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine
SMILESO=[N+]([O-])c1ccc(Oc2ccnn3cccc23)cc1
InChIInChI=1S/C13H9N3O3/c17-16(18)10-3-5-11(6-4-10)19-13-7-8-14-15-9-1-2-12(13)15/h1-9H
InChIKeyOCMVESRHSYDXEU-UHFFFAOYSA-N
XLogP3.03
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-nitrophenoxy)pyrazolo[1,5-a]pyridine
CID 118197918
4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine
CID 139599922
2-(4-nitrophenoxy)cyclohepta-2,4,6-trien-1-one
CID 71333814
ethane;3-iodo-4-(4-nitrophenoxy)pyridine
CID 91494066
2-methyl-4-(4-nitrophenoxy)furo[2,3-b]pyridine
CID 58272180
4-(4-nitrophenoxy)-3-prop-1-ynylpyridine
CID 59853032
2-(4-nitrophenoxy)benzoic acid
CID 139059188
5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one
CID 22936880
2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine
CID 139349383
4-chloro-2-(4-nitrophenoxy)benzonitrile
CID 63092063
5-methyl-4-(4-nitrophenoxy)-1H-pyrazole
CID 90298593
1-[2-(4-nitrophenoxy)phenyl]ethanone
CID 7040232

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine?
The IUPAC name of 4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine (CID 58190627) is 4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine?
The canonical SMILES for 4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine is O=[N+]([O-])c1ccc(Oc2ccnn3cccc23)cc1.
What is the InChIKey of 4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine?
The InChIKey is OCMVESRHSYDXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-16(18)10-3-5-11(6-4-10)19-13-7-8-14-15-9-1-2-12(13)15/h1-9H.
What are the key properties of 4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine?
4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine has a molecular weight of 255.23 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 58190627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).