2-nitro-3-(triazol-1-yl)pyridine

C7H5N5O2 — CID 135041592

IUPAC2-nitro-3-(triazol-1-yl)pyridine
SMILESO=[N+]([O-])c1ncccc1-n1ccnn1
InChIInChI=1S/C7H5N5O2/c13-12(14)7-6(2-1-3-8-7)11-5-4-9-10-11/h1-5H
InChIKeyDGEMXUGCKBXFRV-UHFFFAOYSA-N
MW191.15 g/mol
LogP0.57
Rot. Bonds2

About 2-nitro-3-(triazol-1-yl)pyridine

2-nitro-3-(triazol-1-yl)pyridine (PubChem CID 135041592) has the molecular formula C7H5N5O2 and a molecular weight of 191.15 g/mol. Its IUPAC name is 2-nitro-3-(triazol-1-yl)pyridine.

Molecular Properties

Compound Name2-nitro-3-(triazol-1-yl)pyridine
PubChem CID135041592
Molecular FormulaC7H5N5O2
Molecular Weight191.15 g/mol
Exact Mass191.04
IUPAC Name2-nitro-3-(triazol-1-yl)pyridine
SMILESO=[N+]([O-])c1ncccc1-n1ccnn1
InChIInChI=1S/C7H5N5O2/c13-12(14)7-6(2-1-3-8-7)11-5-4-9-10-11/h1-5H
InChIKeyDGEMXUGCKBXFRV-UHFFFAOYSA-N
XLogP0.57
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 50.57
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

3-(3-chloro-1,2,4-triazol-1-yl)-2-nitropyridine
CID 135041751
3-(triazol-1-yl)pyridin-2-amine
CID 84651207
(3S)-3-methyl-1-(2-nitro-3-pyridinyl)piperazine
CID 104977460
3-(2-nitro-3-pyridinyl)-1,3-thiazolidine
CID 86811028
3-nitro-4-(triazol-1-yl)aniline
CID 121330411
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-nitropyridine
CID 135041627
N,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine
CID 86811030
2,3-dinitropyridine;hydrazine
CID 175406944
4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine
CID 104540859
3-ethynyl-2-nitropyridine
CID 57416834
copper;1-(2-methylphenyl)triazole
CID 141369525
3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide
CID 104741177

Frequently Asked Questions

What is the IUPAC name of 2-nitro-3-(triazol-1-yl)pyridine?
The IUPAC name of 2-nitro-3-(triazol-1-yl)pyridine (CID 135041592) is 2-nitro-3-(triazol-1-yl)pyridine.
What is the SMILES notation for 2-nitro-3-(triazol-1-yl)pyridine?
The canonical SMILES for 2-nitro-3-(triazol-1-yl)pyridine is O=[N+]([O-])c1ncccc1-n1ccnn1.
What is the InChIKey of 2-nitro-3-(triazol-1-yl)pyridine?
The InChIKey is DGEMXUGCKBXFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O2/c13-12(14)7-6(2-1-3-8-7)11-5-4-9-10-11/h1-5H.
What are the key properties of 2-nitro-3-(triazol-1-yl)pyridine?
2-nitro-3-(triazol-1-yl)pyridine has a molecular weight of 191.15 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-3-(triazol-1-yl)pyridine is sourced from PubChem (CID 135041592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).