5-nitro-2,4-diphenoxypyridine

C17H12N2O4 — CID 139217922

IUPAC5-nitro-2,4-diphenoxypyridine
SMILESO=[N+]([O-])c1cnc(Oc2ccccc2)cc1Oc1ccccc1
InChIInChI=1S/C17H12N2O4/c20-19(21)15-12-18-17(23-14-9-5-2-6-10-14)11-16(15)22-13-7-3-1-4-8-13/h1-12H
InChIKeyCOJSJXNOENTROG-UHFFFAOYSA-N
MW308.29 g/mol
LogP4.57
Rot. Bonds5

About 5-nitro-2,4-diphenoxypyridine

5-nitro-2,4-diphenoxypyridine (PubChem CID 139217922) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 5-nitro-2,4-diphenoxypyridine.

Molecular Properties

Compound Name5-nitro-2,4-diphenoxypyridine
PubChem CID139217922
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name5-nitro-2,4-diphenoxypyridine
SMILESO=[N+]([O-])c1cnc(Oc2ccccc2)cc1Oc1ccccc1
InChIInChI=1S/C17H12N2O4/c20-19(21)15-12-18-17(23-14-9-5-2-6-10-14)11-16(15)22-13-7-3-1-4-8-13/h1-12H
InChIKeyCOJSJXNOENTROG-UHFFFAOYSA-N
XLogP4.57
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 54.57
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

2-chloro-5-nitro-4-phenoxypyridine
CID 91620332
(E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine
CID 87240394
1,2-dimethyl-4-nitro-5-phenoxybenzene
CID 12887119
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 79175885
4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine
CID 133339789
(3-nitro-4-phenoxyphenyl)-phenylmethanone
CID 3531975
3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol
CID 106750050
4,4,5,5-tetramethyl-2-(4-nitro-3-phenoxyphenyl)-1,3,2-dioxaborolane
CID 138857882
2-(2-iodophenoxy)-5-methyl-4-nitropyridine
CID 83269728
5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916895
N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide
CID 133329243

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2,4-diphenoxypyridine?
The IUPAC name of 5-nitro-2,4-diphenoxypyridine (CID 139217922) is 5-nitro-2,4-diphenoxypyridine.
What is the SMILES notation for 5-nitro-2,4-diphenoxypyridine?
The canonical SMILES for 5-nitro-2,4-diphenoxypyridine is O=[N+]([O-])c1cnc(Oc2ccccc2)cc1Oc1ccccc1.
What is the InChIKey of 5-nitro-2,4-diphenoxypyridine?
The InChIKey is COJSJXNOENTROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c20-19(21)15-12-18-17(23-14-9-5-2-6-10-14)11-16(15)22-13-7-3-1-4-8-13/h1-12H.
What are the key properties of 5-nitro-2,4-diphenoxypyridine?
5-nitro-2,4-diphenoxypyridine has a molecular weight of 308.29 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2,4-diphenoxypyridine is sourced from PubChem (CID 139217922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).