2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid

C11H9NO4 — CID 62880492

IUPAC2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1Cn1ccc(=O)cc1
InChIInChI=1S/C11H9NO4/c13-8-1-4-12(5-2-8)7-10-9(11(14)15)3-6-16-10/h1-6H,7H2,(H,14,15)
InChIKeyGCGZMOKLNPMSMC-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.19
Rot. Bonds3

About 2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid

2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid (PubChem CID 62880492) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid
PubChem CID62880492
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1Cn1ccc(=O)cc1
InChIInChI=1S/C11H9NO4/c13-8-1-4-12(5-2-8)7-10-9(11(14)15)3-6-16-10/h1-6H,7H2,(H,14,15)
InChIKeyGCGZMOKLNPMSMC-UHFFFAOYSA-N
XLogP1.19
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid (CID 62880492) is 2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid is O=C(O)c1ccoc1Cn1ccc(=O)cc1.
What is the InChIKey of 2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid?
The InChIKey is GCGZMOKLNPMSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-8-1-4-12(5-2-8)7-10-9(11(14)15)3-6-16-10/h1-6H,7H2,(H,14,15).
What are the key properties of 2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid?
2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62880492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).