8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine

C12H7N5O4 — CID 82566580

IUPAC8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1cccc(-c2nc3c([N+](=O)[O-])cccn3n2)c1
InChIInChI=1S/C12H7N5O4/c18-16(19)9-4-1-3-8(7-9)11-13-12-10(17(20)21)5-2-6-15(12)14-11/h1-7H
InChIKeyMVFNDLYHRMOPDA-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.21
Rot. Bonds3

About 8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine

8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 82566580) has the molecular formula C12H7N5O4 and a molecular weight of 285.22 g/mol. Its IUPAC name is 8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID82566580
Molecular FormulaC12H7N5O4
Molecular Weight285.22 g/mol
Exact Mass285.05
IUPAC Name8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1cccc(-c2nc3c([N+](=O)[O-])cccn3n2)c1
InChIInChI=1S/C12H7N5O4/c18-16(19)9-4-1-3-8(7-9)11-13-12-10(17(20)21)5-2-6-15(12)14-11/h1-7H
InChIKeyMVFNDLYHRMOPDA-UHFFFAOYSA-N
XLogP2.21
TPSA116.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

8-nitro-2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 82566584
10-(4-chlorophenyl)-4-(3-nitrophenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 1423592
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 82566512
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 2774286
8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117137616
5-(dichloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 46739367
2-chloro-4-(3-nitrophenyl)-1,3,5-triazine
CID 50998940
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
2-[3-(3-nitrophenyl)-1,2,4-triazol-1-yl]ethanol
CID 115622124

Frequently Asked Questions

What is the IUPAC name of 8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 82566580) is 8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine is O=[N+]([O-])c1cccc(-c2nc3c([N+](=O)[O-])cccn3n2)c1.
What is the InChIKey of 8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MVFNDLYHRMOPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5O4/c18-16(19)9-4-1-3-8(7-9)11-13-12-10(17(20)21)5-2-6-15(12)14-11/h1-7H.
What are the key properties of 8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 285.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 82566580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).