2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid

C13H17NO4 — CID 113379638

IUPAC2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(OC2CCOC2)n1
InChIInChI=1S/C13H17NO4/c1-2-3-10-6-9(13(15)16)7-12(14-10)18-11-4-5-17-8-11/h6-7,11H,2-5,8H2,1H3,(H,15,16)
InChIKeyNSUVCMPBOWUOJF-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.90
Rot. Bonds5

About 2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid

2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid (PubChem CID 113379638) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid
PubChem CID113379638
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(OC2CCOC2)n1
InChIInChI=1S/C13H17NO4/c1-2-3-10-6-9(13(15)16)7-12(14-10)18-11-4-5-17-8-11/h6-7,11H,2-5,8H2,1H3,(H,15,16)
InChIKeyNSUVCMPBOWUOJF-UHFFFAOYSA-N
XLogP1.90
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380250
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid
CID 113379634
2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 113380266
N-ethyl-4-methyl-6-(oxolan-3-yloxy)pyrimidin-2-amine
CID 80876812
N-[[2-(oxetan-3-yloxy)-6-propyl-4-pyridinyl]methyl]cyclopropanamine
CID 102607892
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774573
6-(oxolan-3-yloxy)pyridazine-3-carboxylic acid
CID 63557225
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid
CID 125491947
2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid
CID 81052926

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid (CID 113379638) is 2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(OC2CCOC2)n1.
What is the InChIKey of 2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid?
The InChIKey is NSUVCMPBOWUOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-3-10-6-9(13(15)16)7-12(14-10)18-11-4-5-17-8-11/h6-7,11H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid?
2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 113379638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).