5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid

C12H11NO4 — CID 106947245

IUPAC5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)Cc2cccnc2)o1
InChIInChI=1S/C12H11NO4/c14-9(6-8-2-1-5-13-7-8)10-3-4-11(17-10)12(15)16/h1-5,7,9,14H,6H2,(H,15,16)
InChIKeyQWKJWCHLXYPWDZ-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.65
Rot. Bonds4

About 5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid

5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid (PubChem CID 106947245) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid
PubChem CID106947245
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)Cc2cccnc2)o1
InChIInChI=1S/C12H11NO4/c14-9(6-8-2-1-5-13-7-8)10-3-4-11(17-10)12(15)16/h1-5,7,9,14H,6H2,(H,15,16)
InChIKeyQWKJWCHLXYPWDZ-UHFFFAOYSA-N
XLogP1.65
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-phenylphenyl)-2-pyridin-3-ylethanol
CID 65455131
5-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylic acid
CID 81404845
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
5-(1-hydroxypentyl)furan-2-carboxylic acid
CID 103691557
6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid
CID 13365788
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
1-(4-iodophenyl)-2-pyridin-3-ylethanol
CID 115832159
1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 104735818
[(2R)-1-bromo-3-pyridin-3-ylpropan-2-yl]carbamic acid
CID 139979596
1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 113446855

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid (CID 106947245) is 5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid is O=C(O)c1ccc(C(O)Cc2cccnc2)o1.
What is the InChIKey of 5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid?
The InChIKey is QWKJWCHLXYPWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-9(6-8-2-1-5-13-7-8)10-3-4-11(17-10)12(15)16/h1-5,7,9,14H,6H2,(H,15,16).
What are the key properties of 5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid?
5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2-pyridin-3-ylethyl)furan-2-carboxylic acid is sourced from PubChem (CID 106947245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).