5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid

C13H13NO4 — CID 103174527

IUPAC5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid
SMILESCCc1nc(C)ccc1Oc1ccc(C(=O)O)o1
InChIInChI=1S/C13H13NO4/c1-3-9-10(5-4-8(2)14-9)17-12-7-6-11(18-12)13(15)16/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyDIQPCBHIWGCTNF-UHFFFAOYSA-N
MW247.25 g/mol
LogP3.04
Rot. Bonds4

About 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid

5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid (PubChem CID 103174527) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid
PubChem CID103174527
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid
SMILESCCc1nc(C)ccc1Oc1ccc(C(=O)O)o1
InChIInChI=1S/C13H13NO4/c1-3-9-10(5-4-8(2)14-9)17-12-7-6-11(18-12)13(15)16/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyDIQPCBHIWGCTNF-UHFFFAOYSA-N
XLogP3.04
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid (CID 103174527) is 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid is CCc1nc(C)ccc1Oc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid?
The InChIKey is DIQPCBHIWGCTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-3-9-10(5-4-8(2)14-9)17-12-7-6-11(18-12)13(15)16/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid?
5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid is sourced from PubChem (CID 103174527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).