5-bromo-1-methyl-3-pyridin-2-ylindazole

C13H10BrN3 — CID 86700226

IUPAC5-bromo-1-methyl-3-pyridin-2-ylindazole
SMILESCn1nc(-c2ccccn2)c2cc(Br)ccc21
InChIInChI=1S/C13H10BrN3/c1-17-12-6-5-9(14)8-10(12)13(16-17)11-4-2-3-7-15-11/h2-8H,1H3
InChIKeyKGCZETJSVDMIGA-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.40
Rot. Bonds1

About 5-bromo-1-methyl-3-pyridin-2-ylindazole

5-bromo-1-methyl-3-pyridin-2-ylindazole (PubChem CID 86700226) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-pyridin-2-ylindazole.

Molecular Properties

Compound Name5-bromo-1-methyl-3-pyridin-2-ylindazole
PubChem CID86700226
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name5-bromo-1-methyl-3-pyridin-2-ylindazole
SMILESCn1nc(-c2ccccn2)c2cc(Br)ccc21
InChIInChI=1S/C13H10BrN3/c1-17-12-6-5-9(14)8-10(12)13(16-17)11-4-2-3-7-15-11/h2-8H,1H3
InChIKeyKGCZETJSVDMIGA-UHFFFAOYSA-N
XLogP3.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-pyridin-2-ylindazole?
The IUPAC name of 5-bromo-1-methyl-3-pyridin-2-ylindazole (CID 86700226) is 5-bromo-1-methyl-3-pyridin-2-ylindazole.
What is the SMILES notation for 5-bromo-1-methyl-3-pyridin-2-ylindazole?
The canonical SMILES for 5-bromo-1-methyl-3-pyridin-2-ylindazole is Cn1nc(-c2ccccn2)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-methyl-3-pyridin-2-ylindazole?
The InChIKey is KGCZETJSVDMIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c1-17-12-6-5-9(14)8-10(12)13(16-17)11-4-2-3-7-15-11/h2-8H,1H3.
What are the key properties of 5-bromo-1-methyl-3-pyridin-2-ylindazole?
5-bromo-1-methyl-3-pyridin-2-ylindazole has a molecular weight of 288.15 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-pyridin-2-ylindazole is sourced from PubChem (CID 86700226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).