2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid

C12H12N2O5 — CID 118661383

IUPAC2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid
SMILESCCOC(=O)c1cnn2cc(OCC(=O)O)ccc12
InChIInChI=1S/C12H12N2O5/c1-2-18-12(17)9-5-13-14-6-8(3-4-10(9)14)19-7-11(15)16/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyXWXAHCYOVBPNNL-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.97
Rot. Bonds5

About 2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid

2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid (PubChem CID 118661383) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid
PubChem CID118661383
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid
SMILESCCOC(=O)c1cnn2cc(OCC(=O)O)ccc12
InChIInChI=1S/C12H12N2O5/c1-2-18-12(17)9-5-13-14-6-8(3-4-10(9)14)19-7-11(15)16/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyXWXAHCYOVBPNNL-UHFFFAOYSA-N
XLogP0.97
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-benzylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 178051526
6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 130229153
methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 118661482
6-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680674
ethyl 6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 178051304
ethyl propanoate;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
CID 161412024
ethyl 6-bromo-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate
CID 169163079
1-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 118565994
ethyl 5-[(2-phenoxyacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556593
1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
CID 134286734
ethyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71464261
6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 90299273

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid?
The IUPAC name of 2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid (CID 118661383) is 2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid.
What is the SMILES notation for 2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid?
The canonical SMILES for 2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid is CCOC(=O)c1cnn2cc(OCC(=O)O)ccc12.
What is the InChIKey of 2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid?
The InChIKey is XWXAHCYOVBPNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-2-18-12(17)9-5-13-14-6-8(3-4-10(9)14)19-7-11(15)16/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of 2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid?
2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid has a molecular weight of 264.24 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid is sourced from PubChem (CID 118661383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).