5-methoxy-6-pyridin-4-yl-1H-indazole

C13H11N3O — CID 166635017

IUPAC5-methoxy-6-pyridin-4-yl-1H-indazole
SMILESCOc1cc2cn[nH]c2cc1-c1ccncc1
InChIInChI=1S/C13H11N3O/c1-17-13-6-10-8-15-16-12(10)7-11(13)9-2-4-14-5-3-9/h2-8H,1H3,(H,15,16)
InChIKeyZAZCOIYTMCGNEC-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.63
Rot. Bonds2

About 5-methoxy-6-pyridin-4-yl-1H-indazole

5-methoxy-6-pyridin-4-yl-1H-indazole (PubChem CID 166635017) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methoxy-6-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name5-methoxy-6-pyridin-4-yl-1H-indazole
PubChem CID166635017
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name5-methoxy-6-pyridin-4-yl-1H-indazole
SMILESCOc1cc2cn[nH]c2cc1-c1ccncc1
InChIInChI=1S/C13H11N3O/c1-17-13-6-10-8-15-16-12(10)7-11(13)9-2-4-14-5-3-9/h2-8H,1H3,(H,15,16)
InChIKeyZAZCOIYTMCGNEC-UHFFFAOYSA-N
XLogP2.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-pyridin-4-yl-1H-indazole?
The IUPAC name of 5-methoxy-6-pyridin-4-yl-1H-indazole (CID 166635017) is 5-methoxy-6-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 5-methoxy-6-pyridin-4-yl-1H-indazole?
The canonical SMILES for 5-methoxy-6-pyridin-4-yl-1H-indazole is COc1cc2cn[nH]c2cc1-c1ccncc1.
What is the InChIKey of 5-methoxy-6-pyridin-4-yl-1H-indazole?
The InChIKey is ZAZCOIYTMCGNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-13-6-10-8-15-16-12(10)7-11(13)9-2-4-14-5-3-9/h2-8H,1H3,(H,15,16).
What are the key properties of 5-methoxy-6-pyridin-4-yl-1H-indazole?
5-methoxy-6-pyridin-4-yl-1H-indazole has a molecular weight of 225.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 166635017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).