5-bromo-6-methoxy-2-piperidin-4-ylindazole

C13H16BrN3O — CID 170334625

IUPAC5-bromo-6-methoxy-2-piperidin-4-ylindazole
SMILESCOc1cc2nn(C3CCNCC3)cc2cc1Br
InChIInChI=1S/C13H16BrN3O/c1-18-13-7-12-9(6-11(13)14)8-17(16-12)10-2-4-15-5-3-10/h6-8,10,15H,2-5H2,1H3
InChIKeySUIDJVFFJZSARC-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.73
Rot. Bonds2

About 5-bromo-6-methoxy-2-piperidin-4-ylindazole

5-bromo-6-methoxy-2-piperidin-4-ylindazole (PubChem CID 170334625) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 5-bromo-6-methoxy-2-piperidin-4-ylindazole.

Molecular Properties

Compound Name5-bromo-6-methoxy-2-piperidin-4-ylindazole
PubChem CID170334625
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name5-bromo-6-methoxy-2-piperidin-4-ylindazole
SMILESCOc1cc2nn(C3CCNCC3)cc2cc1Br
InChIInChI=1S/C13H16BrN3O/c1-18-13-7-12-9(6-11(13)14)8-17(16-12)10-2-4-15-5-3-10/h6-8,10,15H,2-5H2,1H3
InChIKeySUIDJVFFJZSARC-UHFFFAOYSA-N
XLogP2.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-2-piperidin-4-ylindazole?
The IUPAC name of 5-bromo-6-methoxy-2-piperidin-4-ylindazole (CID 170334625) is 5-bromo-6-methoxy-2-piperidin-4-ylindazole.
What is the SMILES notation for 5-bromo-6-methoxy-2-piperidin-4-ylindazole?
The canonical SMILES for 5-bromo-6-methoxy-2-piperidin-4-ylindazole is COc1cc2nn(C3CCNCC3)cc2cc1Br.
What is the InChIKey of 5-bromo-6-methoxy-2-piperidin-4-ylindazole?
The InChIKey is SUIDJVFFJZSARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-18-13-7-12-9(6-11(13)14)8-17(16-12)10-2-4-15-5-3-10/h6-8,10,15H,2-5H2,1H3.
What are the key properties of 5-bromo-6-methoxy-2-piperidin-4-ylindazole?
5-bromo-6-methoxy-2-piperidin-4-ylindazole has a molecular weight of 310.19 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methoxy-2-piperidin-4-ylindazole is sourced from PubChem (CID 170334625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).