3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid

C13H13NO4 — CID 43153171

IUPAC3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid
SMILESO=C(O)c1occc1COCCc1ccccn1
InChIInChI=1S/C13H13NO4/c15-13(16)12-10(4-8-18-12)9-17-7-5-11-3-1-2-6-14-11/h1-4,6,8H,5,7,9H2,(H,15,16)
InChIKeyVRXUHUZPGOHOCK-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.13
Rot. Bonds6

About 3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid

3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid (PubChem CID 43153171) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid
PubChem CID43153171
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid
SMILESO=C(O)c1occc1COCCc1ccccn1
InChIInChI=1S/C13H13NO4/c15-13(16)12-10(4-8-18-12)9-17-7-5-11-3-1-2-6-14-11/h1-4,6,8H,5,7,9H2,(H,15,16)
InChIKeyVRXUHUZPGOHOCK-UHFFFAOYSA-N
XLogP2.13
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-pyridin-2-ylethoxymethyl)phenyl]acetohydrazide
CID 115465175
3-(2-pyridin-2-ylethoxymethyl)benzoic acid
CID 29006188
N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62455562
2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid
CID 106698358
N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62455387
3-[3-[3-(2-carboxyfuran-3-yl)propoxy]propyl]furan-2-carboxylic acid
CID 173422535
6-(2-pyridin-2-ylethoxymethyl)pyridine-2-carbohydrazide
CID 106908801
2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine
CID 55206860
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480
5-(pyridin-2-ylmethoxy)pentanoic acid
CID 83213720
N-[[2-(2-pyridin-2-ylethoxymethyl)phenyl]methyl]cyclopropanamine
CID 62457043
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid?
The IUPAC name of 3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid (CID 43153171) is 3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid is O=C(O)c1occc1COCCc1ccccn1.
What is the InChIKey of 3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid?
The InChIKey is VRXUHUZPGOHOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c15-13(16)12-10(4-8-18-12)9-17-7-5-11-3-1-2-6-14-11/h1-4,6,8H,5,7,9H2,(H,15,16).
What are the key properties of 3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid?
3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 43153171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).