5-bromo-1-methyl-3-(2-methyl-4-pyridinyl)-6-nitroindazole

C14H11BrN4O2 — CID 118924538

IUPAC5-bromo-1-methyl-3-(2-methyl-4-pyridinyl)-6-nitroindazole
SMILESCc1cc(-c2nn(C)c3cc([N+](=O)[O-])c(Br)cc23)ccn1
InChIInChI=1S/C14H11BrN4O2/c1-8-5-9(3-4-16-8)14-10-6-11(15)13(19(20)21)7-12(10)18(2)17-14/h3-7H,1-2H3
InChIKeyGLZURSXQWYQKKL-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.61
Rot. Bonds2

About 5-bromo-1-methyl-3-(2-methyl-4-pyridinyl)-6-nitroindazole

5-bromo-1-methyl-3-(2-methyl-4-pyridinyl)-6-nitroindazole (PubChem CID 118924538) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-(2-methyl-4-pyridinyl)-6-nitroindazole.

Molecular Properties

Compound Name5-bromo-1-methyl-3-(2-methyl-4-pyridinyl)-6-nitroindazole
PubChem CID118924538
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Name5-bromo-1-methyl-3-(2-methyl-4-pyridinyl)-6-nitroindazole
SMILESCc1cc(-c2nn(C)c3cc([N+](=O)[O-])c(Br)cc23)ccn1
InChIInChI=1S/C14H11BrN4O2/c1-8-5-9(3-4-16-8)14-10-6-11(15)13(19(20)21)7-12(10)18(2)17-14/h3-7H,1-2H3
InChIKeyGLZURSXQWYQKKL-UHFFFAOYSA-N
XLogP3.61
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-(2-methyl-4-pyridinyl)-6-nitroindazole?
The IUPAC name of 5-bromo-1-methyl-3-(2-methyl-4-pyridinyl)-6-nitroindazole (CID 118924538) is 5-bromo-1-methyl-3-(2-methyl-4-pyridinyl)-6-nitroindazole.
What is the SMILES notation for 5-bromo-1-methyl-3-(2-methyl-4-pyridinyl)-6-nitroindazole?
The canonical SMILES for 5-bromo-1-methyl-3-(2-methyl-4-pyridinyl)-6-nitroindazole is Cc1cc(-c2nn(C)c3cc([N+](=O)[O-])c(Br)cc23)ccn1.
What is the InChIKey of 5-bromo-1-methyl-3-(2-methyl-4-pyridinyl)-6-nitroindazole?
The InChIKey is GLZURSXQWYQKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c1-8-5-9(3-4-16-8)14-10-6-11(15)13(19(20)21)7-12(10)18(2)17-14/h3-7H,1-2H3.
What are the key properties of 5-bromo-1-methyl-3-(2-methyl-4-pyridinyl)-6-nitroindazole?
5-bromo-1-methyl-3-(2-methyl-4-pyridinyl)-6-nitroindazole has a molecular weight of 347.17 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-(2-methyl-4-pyridinyl)-6-nitroindazole is sourced from PubChem (CID 118924538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).