2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid

C16H15N3O3 — CID 170357752

IUPAC2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid
SMILESCCn1nc2ccc(OCc3ccccn3)cc2c1C(=O)O
InChIInChI=1S/C16H15N3O3/c1-2-19-15(16(20)21)13-9-12(6-7-14(13)18-19)22-10-11-5-3-4-8-17-11/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyZEUFBRGCXDQPRM-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.73
Rot. Bonds5

About 2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid

2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid (PubChem CID 170357752) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid
PubChem CID170357752
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid
SMILESCCn1nc2ccc(OCc3ccccn3)cc2c1C(=O)O
InChIInChI=1S/C16H15N3O3/c1-2-19-15(16(20)21)13-9-12(6-7-14(13)18-19)22-10-11-5-3-4-8-17-11/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyZEUFBRGCXDQPRM-UHFFFAOYSA-N
XLogP2.73
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid (CID 170357752) is 2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid is CCn1nc2ccc(OCc3ccccn3)cc2c1C(=O)O.
What is the InChIKey of 2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid?
The InChIKey is ZEUFBRGCXDQPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-2-19-15(16(20)21)13-9-12(6-7-14(13)18-19)22-10-11-5-3-4-8-17-11/h3-9H,2,10H2,1H3,(H,20,21).
What are the key properties of 2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid?
2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid is sourced from PubChem (CID 170357752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).