4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid

C16H12N2O2 — CID 11437002

IUPAC4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid
SMILESO=C(O)c1ccc(/C=C/c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C16H12N2O2/c19-16(20)12-8-5-11(6-9-12)7-10-15-13-3-1-2-4-14(13)17-18-15/h1-10H,(H,17,18)(H,19,20)/b10-7+
InChIKeyNAWBNTCDPGSFFD-JXMROGBWSA-N
MW264.28 g/mol
LogP3.43
Rot. Bonds3

About 4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid

4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid (PubChem CID 11437002) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid.

Molecular Properties

Compound Name4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid
PubChem CID11437002
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid
SMILESO=C(O)c1ccc(/C=C/c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C16H12N2O2/c19-16(20)12-8-5-11(6-9-12)7-10-15-13-3-1-2-4-14(13)17-18-15/h1-10H,(H,17,18)(H,19,20)/b10-7+
InChIKeyNAWBNTCDPGSFFD-JXMROGBWSA-N
XLogP3.43
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid?
The IUPAC name of 4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid (CID 11437002) is 4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid.
What is the SMILES notation for 4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid?
The canonical SMILES for 4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid is O=C(O)c1ccc(/C=C/c2n[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid?
The InChIKey is NAWBNTCDPGSFFD-JXMROGBWSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16(20)12-8-5-11(6-9-12)7-10-15-13-3-1-2-4-14(13)17-18-15/h1-10H,(H,17,18)(H,19,20)/b10-7+.
What are the key properties of 4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid?
4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid has a molecular weight of 264.28 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid is sourced from PubChem (CID 11437002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).