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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Related Compounds

[5-(1-ethylindazol-3-yl)furan-2-yl]methanol
CID 11230243
[5-(1-phenylindazol-3-yl)furan-2-yl]methanol
CID 10039848
[5-[1-[(2-chlorophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
CID 11163571
[5-[1-[(2,4-difluorophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
CID 90666918
[5-[1-(cyclohexa-2,4-dien-1-ylmethyl)indazol-3-yl]furan-2-yl]methanol
CID 142952425
5-(1-benzylindazol-3-yl)furan-2-carboxylic acid
CID 10925187
1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole
CID 91123404
[5-[1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]methanol
CID 101098622
(benzylamino) 5-(1-benzylindazol-3-yl)furan-2-carboxylate
CID 87493475
5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide
CID 22480360
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide
CID 30957679

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).