5-methoxy-2-pyridin-3-ylindazole

C13H11N3O — CID 121320237

IUPAC5-methoxy-2-pyridin-3-ylindazole
SMILESCOc1ccc2nn(-c3cccnc3)cc2c1
InChIInChI=1S/C13H11N3O/c1-17-12-4-5-13-10(7-12)9-16(15-13)11-3-2-6-14-8-11/h2-9H,1H3
InChIKeyODLPFFVNFPPXRW-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.43
Rot. Bonds2

About 5-methoxy-2-pyridin-3-ylindazole

5-methoxy-2-pyridin-3-ylindazole (PubChem CID 121320237) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methoxy-2-pyridin-3-ylindazole.

Molecular Properties

Compound Name5-methoxy-2-pyridin-3-ylindazole
PubChem CID121320237
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name5-methoxy-2-pyridin-3-ylindazole
SMILESCOc1ccc2nn(-c3cccnc3)cc2c1
InChIInChI=1S/C13H11N3O/c1-17-12-4-5-13-10(7-12)9-16(15-13)11-3-2-6-14-8-11/h2-9H,1H3
InChIKeyODLPFFVNFPPXRW-UHFFFAOYSA-N
XLogP2.43
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyridin-3-ylindazole?
The IUPAC name of 5-methoxy-2-pyridin-3-ylindazole (CID 121320237) is 5-methoxy-2-pyridin-3-ylindazole.
What is the SMILES notation for 5-methoxy-2-pyridin-3-ylindazole?
The canonical SMILES for 5-methoxy-2-pyridin-3-ylindazole is COc1ccc2nn(-c3cccnc3)cc2c1.
What is the InChIKey of 5-methoxy-2-pyridin-3-ylindazole?
The InChIKey is ODLPFFVNFPPXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-12-4-5-13-10(7-12)9-16(15-13)11-3-2-6-14-8-11/h2-9H,1H3.
What are the key properties of 5-methoxy-2-pyridin-3-ylindazole?
5-methoxy-2-pyridin-3-ylindazole has a molecular weight of 225.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyridin-3-ylindazole is sourced from PubChem (CID 121320237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).