5-(4-oxo-1-pyridinyl)furan-2-carboxylic acid

C10H7NO4 — CID 19788549

IUPAC5-(4-oxo-1-pyridinyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-n2ccc(=O)cc2)o1
InChIInChI=1S/C10H7NO4/c12-7-3-5-11(6-4-7)9-2-1-8(15-9)10(13)14/h1-6H,(H,13,14)
InChIKeyPJNCODNQQVWBAA-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.13
Rot. Bonds2

About 5-(4-oxo-1-pyridinyl)furan-2-carboxylic acid

5-(4-oxo-1-pyridinyl)furan-2-carboxylic acid (PubChem CID 19788549) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 5-(4-oxo-1-pyridinyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-oxo-1-pyridinyl)furan-2-carboxylic acid
PubChem CID19788549
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name5-(4-oxo-1-pyridinyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-n2ccc(=O)cc2)o1
InChIInChI=1S/C10H7NO4/c12-7-3-5-11(6-4-7)9-2-1-8(15-9)10(13)14/h1-6H,(H,13,14)
InChIKeyPJNCODNQQVWBAA-UHFFFAOYSA-N
XLogP1.13
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-oxo-1-pyridinyl)furan-2-carboxylic acid?
The IUPAC name of 5-(4-oxo-1-pyridinyl)furan-2-carboxylic acid (CID 19788549) is 5-(4-oxo-1-pyridinyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-oxo-1-pyridinyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-oxo-1-pyridinyl)furan-2-carboxylic acid is O=C(O)c1ccc(-n2ccc(=O)cc2)o1.
What is the InChIKey of 5-(4-oxo-1-pyridinyl)furan-2-carboxylic acid?
The InChIKey is PJNCODNQQVWBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-7-3-5-11(6-4-7)9-2-1-8(15-9)10(13)14/h1-6H,(H,13,14).
What are the key properties of 5-(4-oxo-1-pyridinyl)furan-2-carboxylic acid?
5-(4-oxo-1-pyridinyl)furan-2-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-oxo-1-pyridinyl)furan-2-carboxylic acid is sourced from PubChem (CID 19788549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).