2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine

C12H7ClN4O2 — CID 82566512

IUPAC2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1ccc2nc(-c3cccc(Cl)c3)nn2c1
InChIInChI=1S/C12H7ClN4O2/c13-9-3-1-2-8(6-9)12-14-11-5-4-10(17(18)19)7-16(11)15-12/h1-7H
InChIKeyDYSBIIVPWOLNRU-UHFFFAOYSA-N
MW274.67 g/mol
LogP2.96
Rot. Bonds2

About 2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine

2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 82566512) has the molecular formula C12H7ClN4O2 and a molecular weight of 274.67 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID82566512
Molecular FormulaC12H7ClN4O2
Molecular Weight274.67 g/mol
Exact Mass274.03
IUPAC Name2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1ccc2nc(-c3cccc(Cl)c3)nn2c1
InChIInChI=1S/C12H7ClN4O2/c13-9-3-1-2-8(6-9)12-14-11-5-4-10(17(18)19)7-16(11)15-12/h1-7H
InChIKeyDYSBIIVPWOLNRU-UHFFFAOYSA-N
XLogP2.96
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.67
LogP ≤ 52.96
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

6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566488
2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 163798613
2-(3-chlorophenyl)-5-nitropyrimidine
CID 67287515
6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117130734
(9R)-2-(3-chlorophenyl)-7-nitro-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol
CID 126279189
N-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide
CID 71729586
6-chloro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 102337827
7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135366
2-[4-(6-chloronaphthalen-2-yl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 142605522
6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 83880374
8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 82566580
2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine
CID 57338731

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine (CID 82566512) is 2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine is O=[N+]([O-])c1ccc2nc(-c3cccc(Cl)c3)nn2c1.
What is the InChIKey of 2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is DYSBIIVPWOLNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4O2/c13-9-3-1-2-8(6-9)12-14-11-5-4-10(17(18)19)7-16(11)15-12/h1-7H.
What are the key properties of 2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine?
2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 274.67 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 82566512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).