2-(3-indazol-1-ylphenyl)acetic acid

C15H12N2O2 — CID 82513907

IUPAC2-(3-indazol-1-ylphenyl)acetic acid
SMILESO=C(O)Cc1cccc(-n2ncc3ccccc32)c1
InChIInChI=1S/C15H12N2O2/c18-15(19)9-11-4-3-6-13(8-11)17-14-7-2-1-5-12(14)10-16-17/h1-8,10H,9H2,(H,18,19)
InChIKeyKZIWRDAJGRVLSG-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.65
Rot. Bonds3

About 2-(3-indazol-1-ylphenyl)acetic acid

2-(3-indazol-1-ylphenyl)acetic acid (PubChem CID 82513907) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(3-indazol-1-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-indazol-1-ylphenyl)acetic acid
PubChem CID82513907
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(3-indazol-1-ylphenyl)acetic acid
SMILESO=C(O)Cc1cccc(-n2ncc3ccccc32)c1
InChIInChI=1S/C15H12N2O2/c18-15(19)9-11-4-3-6-13(8-11)17-14-7-2-1-5-12(14)10-16-17/h1-8,10H,9H2,(H,18,19)
InChIKeyKZIWRDAJGRVLSG-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-indazol-1-ylphenyl)acetic acid?
The IUPAC name of 2-(3-indazol-1-ylphenyl)acetic acid (CID 82513907) is 2-(3-indazol-1-ylphenyl)acetic acid.
What is the SMILES notation for 2-(3-indazol-1-ylphenyl)acetic acid?
The canonical SMILES for 2-(3-indazol-1-ylphenyl)acetic acid is O=C(O)Cc1cccc(-n2ncc3ccccc32)c1.
What is the InChIKey of 2-(3-indazol-1-ylphenyl)acetic acid?
The InChIKey is KZIWRDAJGRVLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15(19)9-11-4-3-6-13(8-11)17-14-7-2-1-5-12(14)10-16-17/h1-8,10H,9H2,(H,18,19).
What are the key properties of 2-(3-indazol-1-ylphenyl)acetic acid?
2-(3-indazol-1-ylphenyl)acetic acid has a molecular weight of 252.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-indazol-1-ylphenyl)acetic acid is sourced from PubChem (CID 82513907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).