2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid

C14H12N2O4 — CID 21106945

IUPAC2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(-c2ccc(CO)o2)c2ccccc21
InChIInChI=1S/C14H12N2O4/c17-8-9-5-6-12(20-9)14-10-3-1-2-4-11(10)16(15-14)7-13(18)19/h1-6,17H,7-8H2,(H,18,19)
InChIKeyDFKGVGRNJGSBIH-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.87
Rot. Bonds4

About 2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid

2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid (PubChem CID 21106945) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid
PubChem CID21106945
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(-c2ccc(CO)o2)c2ccccc21
InChIInChI=1S/C14H12N2O4/c17-8-9-5-6-12(20-9)14-10-3-1-2-4-11(10)16(15-14)7-13(18)19/h1-6,17H,7-8H2,(H,18,19)
InChIKeyDFKGVGRNJGSBIH-UHFFFAOYSA-N
XLogP1.87
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid (CID 21106945) is 2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid is O=C(O)Cn1nc(-c2ccc(CO)o2)c2ccccc21.
What is the InChIKey of 2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid?
The InChIKey is DFKGVGRNJGSBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-8-9-5-6-12(20-9)14-10-3-1-2-4-11(10)16(15-14)7-13(18)19/h1-6,17H,7-8H2,(H,18,19).
What are the key properties of 2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid?
2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid has a molecular weight of 272.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid is sourced from PubChem (CID 21106945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).