2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid

C16H11F3N2O2 — CID 177379490

IUPAC2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cc(C(F)(F)F)c3[nH]ncc3c2)cc1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)13-7-11(6-12-8-20-21-15(12)13)10-3-1-9(2-4-10)5-14(22)23/h1-4,6-8H,5H2,(H,20,21)(H,22,23)
InChIKeyJQTYVNXWEIJCKZ-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.88
Rot. Bonds3

About 2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid

2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid (PubChem CID 177379490) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid
PubChem CID177379490
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cc(C(F)(F)F)c3[nH]ncc3c2)cc1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)13-7-11(6-12-8-20-21-15(12)13)10-3-1-9(2-4-10)5-14(22)23/h1-4,6-8H,5H2,(H,20,21)(H,22,23)
InChIKeyJQTYVNXWEIJCKZ-UHFFFAOYSA-N
XLogP3.88
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid (CID 177379490) is 2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid is O=C(O)Cc1ccc(-c2cc(C(F)(F)F)c3[nH]ncc3c2)cc1.
What is the InChIKey of 2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid?
The InChIKey is JQTYVNXWEIJCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)13-7-11(6-12-8-20-21-15(12)13)10-3-1-9(2-4-10)5-14(22)23/h1-4,6-8H,5H2,(H,20,21)(H,22,23).
What are the key properties of 2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid?
2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid has a molecular weight of 320.27 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid is sourced from PubChem (CID 177379490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).