methyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate

C11H12N2O3 — CID 167021191

IUPACmethyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate
SMILESCOC(=O)Cc1cc2c(CO)cccn2n1
InChIInChI=1S/C11H12N2O3/c1-16-11(15)6-9-5-10-8(7-14)3-2-4-13(10)12-9/h2-5,14H,6-7H2,1H3
InChIKeyFOBILMLDNSTHAC-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.54
Rot. Bonds3

About methyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate

methyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate (PubChem CID 167021191) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate
PubChem CID167021191
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate
SMILESCOC(=O)Cc1cc2c(CO)cccn2n1
InChIInChI=1S/C11H12N2O3/c1-16-11(15)6-9-5-10-8(7-14)3-2-4-13(10)12-9/h2-5,14H,6-7H2,1H3
InChIKeyFOBILMLDNSTHAC-UHFFFAOYSA-N
XLogP0.54
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 752171
Pyrazolo(1,5-a)pyridine-3-carboxylic acid
CID 2795462
Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 2497643
Ethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
CID 156770112
TK9Msv53AD
CID 10360713
2-Phenylpyrazolo(1,5-a)pyridine-3-carboxylic acid
CID 12872295
5-(Methoxycarbonyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 123725403
2-(1-Methylpyrazol-3-yl)pyridine-4-carboxylic acid
CID 105455028
Butyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137658202
Methyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
CID 164610883
2-Fluoroethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
CID 164613646

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate (CID 167021191) is methyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate is COC(=O)Cc1cc2c(CO)cccn2n1.
What is the InChIKey of methyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate?
The InChIKey is FOBILMLDNSTHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-11(15)6-9-5-10-8(7-14)3-2-4-13(10)12-9/h2-5,14H,6-7H2,1H3.
What are the key properties of methyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate?
methyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate has a molecular weight of 220.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate is sourced from PubChem (CID 167021191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).