2-(3-phenylindazol-1-yl)acetic acid

C15H12N2O2 — CID 5309553

IUPAC2-(3-phenylindazol-1-yl)acetic acid
SMILESO=C(O)Cn1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C15H12N2O2/c18-14(19)10-17-13-9-5-4-8-12(13)15(16-17)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyWLLBUFGBEAQRKY-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.79
Rot. Bonds3

About 2-(3-phenylindazol-1-yl)acetic acid

2-(3-phenylindazol-1-yl)acetic acid (PubChem CID 5309553) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(3-phenylindazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-phenylindazol-1-yl)acetic acid
PubChem CID5309553
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(3-phenylindazol-1-yl)acetic acid
SMILESO=C(O)Cn1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C15H12N2O2/c18-14(19)10-17-13-9-5-4-8-12(13)15(16-17)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyWLLBUFGBEAQRKY-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylindazol-1-yl)acetic acid?
The IUPAC name of 2-(3-phenylindazol-1-yl)acetic acid (CID 5309553) is 2-(3-phenylindazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-phenylindazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-phenylindazol-1-yl)acetic acid is O=C(O)Cn1nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3-phenylindazol-1-yl)acetic acid?
The InChIKey is WLLBUFGBEAQRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-14(19)10-17-13-9-5-4-8-12(13)15(16-17)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19).
What are the key properties of 2-(3-phenylindazol-1-yl)acetic acid?
2-(3-phenylindazol-1-yl)acetic acid has a molecular weight of 252.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylindazol-1-yl)acetic acid is sourced from PubChem (CID 5309553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).