1-(3-nitro-2-pyridinyl)benzotriazole

C11H7N5O2 — CID 11601178

IUPAC1-(3-nitro-2-pyridinyl)benzotriazole
SMILESO=[N+]([O-])c1cccnc1-n1nnc2ccccc21
InChIInChI=1S/C11H7N5O2/c17-16(18)10-6-3-7-12-11(10)15-9-5-2-1-4-8(9)13-14-15/h1-7H
InChIKeyWOJZGKORHYXFES-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.72
Rot. Bonds2

About 1-(3-nitro-2-pyridinyl)benzotriazole

1-(3-nitro-2-pyridinyl)benzotriazole (PubChem CID 11601178) has the molecular formula C11H7N5O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 1-(3-nitro-2-pyridinyl)benzotriazole.

Molecular Properties

Compound Name1-(3-nitro-2-pyridinyl)benzotriazole
PubChem CID11601178
Molecular FormulaC11H7N5O2
Molecular Weight241.21 g/mol
Exact Mass241.06
IUPAC Name1-(3-nitro-2-pyridinyl)benzotriazole
SMILESO=[N+]([O-])c1cccnc1-n1nnc2ccccc21
InChIInChI=1S/C11H7N5O2/c17-16(18)10-6-3-7-12-11(10)15-9-5-2-1-4-8(9)13-14-15/h1-7H
InChIKeyWOJZGKORHYXFES-UHFFFAOYSA-N
XLogP1.72
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-nitro-2-pyridinyl)benzotriazole?
The IUPAC name of 1-(3-nitro-2-pyridinyl)benzotriazole (CID 11601178) is 1-(3-nitro-2-pyridinyl)benzotriazole.
What is the SMILES notation for 1-(3-nitro-2-pyridinyl)benzotriazole?
The canonical SMILES for 1-(3-nitro-2-pyridinyl)benzotriazole is O=[N+]([O-])c1cccnc1-n1nnc2ccccc21.
What is the InChIKey of 1-(3-nitro-2-pyridinyl)benzotriazole?
The InChIKey is WOJZGKORHYXFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O2/c17-16(18)10-6-3-7-12-11(10)15-9-5-2-1-4-8(9)13-14-15/h1-7H.
What are the key properties of 1-(3-nitro-2-pyridinyl)benzotriazole?
1-(3-nitro-2-pyridinyl)benzotriazole has a molecular weight of 241.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitro-2-pyridinyl)benzotriazole is sourced from PubChem (CID 11601178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).