2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid

C16H13FN2O3 — CID 164766416

IUPAC2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid
SMILESO=C(O)Cc1cc(F)c2cn(Cc3ccc(O)cc3)nc2c1
InChIInChI=1S/C16H13FN2O3/c17-14-5-11(7-16(21)22)6-15-13(14)9-19(18-15)8-10-1-3-12(20)4-2-10/h1-6,9,20H,7-8H2,(H,21,22)
InChIKeyZIACROAGMJOEOJ-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.56
Rot. Bonds4

About 2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid

2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid (PubChem CID 164766416) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid.

Molecular Properties

Compound Name2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid
PubChem CID164766416
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid
SMILESO=C(O)Cc1cc(F)c2cn(Cc3ccc(O)cc3)nc2c1
InChIInChI=1S/C16H13FN2O3/c17-14-5-11(7-16(21)22)6-15-13(14)9-19(18-15)8-10-1-3-12(20)4-2-10/h1-6,9,20H,7-8H2,(H,21,22)
InChIKeyZIACROAGMJOEOJ-UHFFFAOYSA-N
XLogP2.56
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid?
The IUPAC name of 2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid (CID 164766416) is 2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid.
What is the SMILES notation for 2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid?
The canonical SMILES for 2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid is O=C(O)Cc1cc(F)c2cn(Cc3ccc(O)cc3)nc2c1.
What is the InChIKey of 2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid?
The InChIKey is ZIACROAGMJOEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c17-14-5-11(7-16(21)22)6-15-13(14)9-19(18-15)8-10-1-3-12(20)4-2-10/h1-6,9,20H,7-8H2,(H,21,22).
What are the key properties of 2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid?
2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid has a molecular weight of 300.29 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid is sourced from PubChem (CID 164766416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).