2,5-dimethyl-3-nitro-6-(triazol-2-yl)pyridine

C9H9N5O2 — CID 134610364

IUPAC2,5-dimethyl-3-nitro-6-(triazol-2-yl)pyridine
SMILESCc1cc([N+](=O)[O-])c(C)nc1-n1nccn1
InChIInChI=1S/C9H9N5O2/c1-6-5-8(14(15)16)7(2)12-9(6)13-10-3-4-11-13/h3-5H,1-2H3
InChIKeyGOOUNHISOYBGHS-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.19
Rot. Bonds2

About 2,5-dimethyl-3-nitro-6-(triazol-2-yl)pyridine

2,5-dimethyl-3-nitro-6-(triazol-2-yl)pyridine (PubChem CID 134610364) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2,5-dimethyl-3-nitro-6-(triazol-2-yl)pyridine.

Molecular Properties

Compound Name2,5-dimethyl-3-nitro-6-(triazol-2-yl)pyridine
PubChem CID134610364
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name2,5-dimethyl-3-nitro-6-(triazol-2-yl)pyridine
SMILESCc1cc([N+](=O)[O-])c(C)nc1-n1nccn1
InChIInChI=1S/C9H9N5O2/c1-6-5-8(14(15)16)7(2)12-9(6)13-10-3-4-11-13/h3-5H,1-2H3
InChIKeyGOOUNHISOYBGHS-UHFFFAOYSA-N
XLogP1.19
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine
CID 66524275
2,5-dimethyl-3-nitropyridine
CID 12626468
2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine
CID 58370425
2-bromo-4-nitro-5-(triazol-2-yl)pyridine
CID 156539643
5-bromo-2-chloro-6-methyl-3-nitropyridine
CID 10610778
5-chloro-2-(1-methylpyrrolidin-3-yl)oxy-3-nitro-6-(triazol-2-yl)pyridine
CID 118540273
6-methyl-7-nitroquinoxaline
CID 55271661
2-chloro-5-methyl-3-nitropyridine
CID 139082293
3-methyl-1-(4-methyl-3-nitrophenyl)-1,2,4-triazole
CID 166607561
5-methyl-4-nitro-2-pyrazol-1-ylpyridine
CID 83272029

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-nitro-6-(triazol-2-yl)pyridine?
The IUPAC name of 2,5-dimethyl-3-nitro-6-(triazol-2-yl)pyridine (CID 134610364) is 2,5-dimethyl-3-nitro-6-(triazol-2-yl)pyridine.
What is the SMILES notation for 2,5-dimethyl-3-nitro-6-(triazol-2-yl)pyridine?
The canonical SMILES for 2,5-dimethyl-3-nitro-6-(triazol-2-yl)pyridine is Cc1cc([N+](=O)[O-])c(C)nc1-n1nccn1.
What is the InChIKey of 2,5-dimethyl-3-nitro-6-(triazol-2-yl)pyridine?
The InChIKey is GOOUNHISOYBGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-6-5-8(14(15)16)7(2)12-9(6)13-10-3-4-11-13/h3-5H,1-2H3.
What are the key properties of 2,5-dimethyl-3-nitro-6-(triazol-2-yl)pyridine?
2,5-dimethyl-3-nitro-6-(triazol-2-yl)pyridine has a molecular weight of 219.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-nitro-6-(triazol-2-yl)pyridine is sourced from PubChem (CID 134610364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).