5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid

C13H12N2O3 — CID 55256220

IUPAC5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCCc2ccncc2)c1
InChIInChI=1S/C13H12N2O3/c16-13(17)11-7-12(9-15-8-11)18-6-3-10-1-4-14-5-2-10/h1-2,4-5,7-9H,3,6H2,(H,16,17)
InChIKeyFMMWWURPCVTRPG-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.80
Rot. Bonds5

About 5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid

5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid (PubChem CID 55256220) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid
PubChem CID55256220
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCCc2ccncc2)c1
InChIInChI=1S/C13H12N2O3/c16-13(17)11-7-12(9-15-8-11)18-6-3-10-1-4-14-5-2-10/h1-2,4-5,7-9H,3,6H2,(H,16,17)
InChIKeyFMMWWURPCVTRPG-UHFFFAOYSA-N
XLogP1.80
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butoxypyridine-3-carboxylic acid
CID 63851154
5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid
CID 63851505
5-(5-hydroxypentoxy)pyridine-3-carboxylic acid
CID 63851859
5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid
CID 64553523
5-(4-methoxybutoxy)pyridine-3-carboxylic acid
CID 104646807
5-[3-(4-chlorophenoxy)propoxy]pyridine-3-carboxylic acid
CID 63852389
5-hexoxypyridine-3-carboxylic acid
CID 63850317
5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid
CID 4738593
bis(4-propoxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine
CID 139087732
3-[2-(2-pyridin-4-ylethylamino)ethoxy]benzoic acid
CID 103239963
5-[4-(dimethylamino)-4-oxobutoxy]pyridine-3-carboxylic acid
CID 63852203
5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
CID 63851857

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid (CID 55256220) is 5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid is O=C(O)c1cncc(OCCc2ccncc2)c1.
What is the InChIKey of 5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid?
The InChIKey is FMMWWURPCVTRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-13(17)11-7-12(9-15-8-11)18-6-3-10-1-4-14-5-2-10/h1-2,4-5,7-9H,3,6H2,(H,16,17).
What are the key properties of 5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid?
5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 55256220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).