2-[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]acetic acid

C15H11FN2O2S — CID 174483442

IUPAC2-[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]acetic acid
SMILESO=C(O)Cc1cc2c(/C=C\c3cccs3)n[nH]c2cc1F
InChIInChI=1S/C15H11FN2O2S/c16-12-8-14-11(6-9(12)7-15(19)20)13(17-18-14)4-3-10-2-1-5-21-10/h1-6,8H,7H2,(H,17,18)(H,19,20)/b4-3-
InChIKeyYENMOAAWZPMUBU-ARJAWSKDSA-N
MW302.33 g/mol
LogP3.56
Rot. Bonds4

About 2-[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]acetic acid

2-[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]acetic acid (PubChem CID 174483442) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]acetic acid
PubChem CID174483442
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name2-[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]acetic acid
SMILESO=C(O)Cc1cc2c(/C=C\c3cccs3)n[nH]c2cc1F
InChIInChI=1S/C15H11FN2O2S/c16-12-8-14-11(6-9(12)7-15(19)20)13(17-18-14)4-3-10-2-1-5-21-10/h1-6,8H,7H2,(H,17,18)(H,19,20)/b4-3-
InChIKeyYENMOAAWZPMUBU-ARJAWSKDSA-N
XLogP3.56
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]acetic acid (CID 174483442) is 2-[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]acetic acid is O=C(O)Cc1cc2c(/C=C\c3cccs3)n[nH]c2cc1F.
What is the InChIKey of 2-[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]acetic acid?
The InChIKey is YENMOAAWZPMUBU-ARJAWSKDSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-12-8-14-11(6-9(12)7-15(19)20)13(17-18-14)4-3-10-2-1-5-21-10/h1-6,8H,7H2,(H,17,18)(H,19,20)/b4-3-.
What are the key properties of 2-[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]acetic acid?
2-[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]acetic acid is sourced from PubChem (CID 174483442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).