5-(indazol-1-ylmethyl)furan-3-carboxylic acid

C13H10N2O3 — CID 62267281

IUPAC5-(indazol-1-ylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(Cn2ncc3ccccc32)c1
InChIInChI=1S/C13H10N2O3/c16-13(17)10-5-11(18-8-10)7-15-12-4-2-1-3-9(12)6-14-15/h1-6,8H,7H2,(H,16,17)
InChIKeyWAXDRDFBTZUMJS-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.38
Rot. Bonds3

About 5-(indazol-1-ylmethyl)furan-3-carboxylic acid

5-(indazol-1-ylmethyl)furan-3-carboxylic acid (PubChem CID 62267281) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-(indazol-1-ylmethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(indazol-1-ylmethyl)furan-3-carboxylic acid
PubChem CID62267281
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name5-(indazol-1-ylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(Cn2ncc3ccccc32)c1
InChIInChI=1S/C13H10N2O3/c16-13(17)10-5-11(18-8-10)7-15-12-4-2-1-3-9(12)6-14-15/h1-6,8H,7H2,(H,16,17)
InChIKeyWAXDRDFBTZUMJS-UHFFFAOYSA-N
XLogP2.38
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(indazol-1-ylmethyl)furan-3-carboxylic acid?
The IUPAC name of 5-(indazol-1-ylmethyl)furan-3-carboxylic acid (CID 62267281) is 5-(indazol-1-ylmethyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(indazol-1-ylmethyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(indazol-1-ylmethyl)furan-3-carboxylic acid is O=C(O)c1coc(Cn2ncc3ccccc32)c1.
What is the InChIKey of 5-(indazol-1-ylmethyl)furan-3-carboxylic acid?
The InChIKey is WAXDRDFBTZUMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-13(17)10-5-11(18-8-10)7-15-12-4-2-1-3-9(12)6-14-15/h1-6,8H,7H2,(H,16,17).
What are the key properties of 5-(indazol-1-ylmethyl)furan-3-carboxylic acid?
5-(indazol-1-ylmethyl)furan-3-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(indazol-1-ylmethyl)furan-3-carboxylic acid is sourced from PubChem (CID 62267281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).