2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol

C18H12FN3O2 — CID 162685485

IUPAC2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol
SMILESOc1cccc(-c2cccc(Oc3ccc4cn[nH]c4c3)n2)c1F
InChIInChI=1S/C18H12FN3O2/c19-18-13(3-1-5-16(18)23)14-4-2-6-17(21-14)24-12-8-7-11-10-20-22-15(11)9-12/h1-10,23H,(H,20,22)
InChIKeyXRPDDBBWYFOEDC-UHFFFAOYSA-N
MW321.31 g/mol
LogP4.26
Rot. Bonds3

About 2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol

2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol (PubChem CID 162685485) has the molecular formula C18H12FN3O2 and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol
PubChem CID162685485
Molecular FormulaC18H12FN3O2
Molecular Weight321.31 g/mol
Exact Mass321.09
IUPAC Name2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol
SMILESOc1cccc(-c2cccc(Oc3ccc4cn[nH]c4c3)n2)c1F
InChIInChI=1S/C18H12FN3O2/c19-18-13(3-1-5-16(18)23)14-4-2-6-17(21-14)24-12-8-7-11-10-20-22-15(11)9-12/h1-10,23H,(H,20,22)
InChIKeyXRPDDBBWYFOEDC-UHFFFAOYSA-N
XLogP4.26
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol?
The IUPAC name of 2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol (CID 162685485) is 2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol.
What is the SMILES notation for 2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol?
The canonical SMILES for 2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol is Oc1cccc(-c2cccc(Oc3ccc4cn[nH]c4c3)n2)c1F.
What is the InChIKey of 2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol?
The InChIKey is XRPDDBBWYFOEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2/c19-18-13(3-1-5-16(18)23)14-4-2-6-17(21-14)24-12-8-7-11-10-20-22-15(11)9-12/h1-10,23H,(H,20,22).
What are the key properties of 2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol?
2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol has a molecular weight of 321.31 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol is sourced from PubChem (CID 162685485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).