5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid

C12H16N2O3 — CID 79793888

IUPAC5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCCN2CCCC2)cn1
InChIInChI=1S/C12H16N2O3/c15-12(16)11-4-3-10(9-13-11)17-8-7-14-5-1-2-6-14/h3-4,9H,1-2,5-8H2,(H,15,16)
InChIKeyPWTVNHGCZGEZKL-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.25
Rot. Bonds5

About 5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid

5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid (PubChem CID 79793888) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid
PubChem CID79793888
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCCN2CCCC2)cn1
InChIInChI=1S/C12H16N2O3/c15-12(16)11-4-3-10(9-13-11)17-8-7-14-5-1-2-6-14/h3-4,9H,1-2,5-8H2,(H,15,16)
InChIKeyPWTVNHGCZGEZKL-UHFFFAOYSA-N
XLogP1.25
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-5-(2-piperidin-1-ylethoxy)pyridine-2-carboximidamide
CID 136990863
5-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 79794959
5-(3-phenoxypropoxy)pyridine-2-carboxylic acid
CID 79793898
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(5-methoxy-2-pyridinyl)methanone
CID 71724969
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid
CID 107554889
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
CID 79776328
6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 90299273
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid (CID 79793888) is 5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid is O=C(O)c1ccc(OCCN2CCCC2)cn1.
What is the InChIKey of 5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid?
The InChIKey is PWTVNHGCZGEZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12(16)11-4-3-10(9-13-11)17-8-7-14-5-1-2-6-14/h3-4,9H,1-2,5-8H2,(H,15,16).
What are the key properties of 5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid?
5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 79793888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).