2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid

C13H17NO4 — CID 113379634

IUPAC2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(OCC2CCOC2)n1
InChIInChI=1S/C13H17NO4/c1-2-11-5-10(13(15)16)6-12(14-11)18-8-9-3-4-17-7-9/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyWSCJFCITACVJEO-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.76
Rot. Bonds5

About 2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid

2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid (PubChem CID 113379634) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid
PubChem CID113379634
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(OCC2CCOC2)n1
InChIInChI=1S/C13H17NO4/c1-2-11-5-10(13(15)16)6-12(14-11)18-8-9-3-4-17-7-9/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyWSCJFCITACVJEO-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid
CID 113379638
4-methyl-3-(oxolan-3-ylmethoxy)benzoic acid
CID 61379995
N-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide
CID 171792158
N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine
CID 80941165
2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380250
3-chloro-4-(oxolan-3-ylmethoxy)benzoic acid
CID 61379805
2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 113379822
3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid
CID 62703281
4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine
CID 80872217
N-ethyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidin-4-amine
CID 80950581
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905
2-ethylsulfanyl-6-(oxolan-3-ylmethoxy)benzoic acid
CID 113386253

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid (CID 113379634) is 2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(OCC2CCOC2)n1.
What is the InChIKey of 2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid?
The InChIKey is WSCJFCITACVJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-11-5-10(13(15)16)6-12(14-11)18-8-9-3-4-17-7-9/h5-6,9H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of 2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid?
2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 113379634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).