[6-fluoro-1-(oxolan-3-ylmethyl)indazol-3-yl]-methoxymethanol

C14H17FN2O3 — CID 146408827

IUPAC[6-fluoro-1-(oxolan-3-ylmethyl)indazol-3-yl]-methoxymethanol
SMILESCOC(O)c1nn(CC2CCOC2)c2cc(F)ccc12
InChIInChI=1S/C14H17FN2O3/c1-19-14(18)13-11-3-2-10(15)6-12(11)17(16-13)7-9-4-5-20-8-9/h2-3,6,9,14,18H,4-5,7-8H2,1H3
InChIKeyHQGNFMXWVFSTJJ-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.85
Rot. Bonds4

About [6-fluoro-1-(oxolan-3-ylmethyl)indazol-3-yl]-methoxymethanol

[6-fluoro-1-(oxolan-3-ylmethyl)indazol-3-yl]-methoxymethanol (PubChem CID 146408827) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is [6-fluoro-1-(oxolan-3-ylmethyl)indazol-3-yl]-methoxymethanol.

Molecular Properties

Compound Name[6-fluoro-1-(oxolan-3-ylmethyl)indazol-3-yl]-methoxymethanol
PubChem CID146408827
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name[6-fluoro-1-(oxolan-3-ylmethyl)indazol-3-yl]-methoxymethanol
SMILESCOC(O)c1nn(CC2CCOC2)c2cc(F)ccc12
InChIInChI=1S/C14H17FN2O3/c1-19-14(18)13-11-3-2-10(15)6-12(11)17(16-13)7-9-4-5-20-8-9/h2-3,6,9,14,18H,4-5,7-8H2,1H3
InChIKeyHQGNFMXWVFSTJJ-UHFFFAOYSA-N
XLogP1.85
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-1-(oxolan-3-ylmethyl)indazol-3-yl]-methoxymethanol?
The IUPAC name of [6-fluoro-1-(oxolan-3-ylmethyl)indazol-3-yl]-methoxymethanol (CID 146408827) is [6-fluoro-1-(oxolan-3-ylmethyl)indazol-3-yl]-methoxymethanol.
What is the SMILES notation for [6-fluoro-1-(oxolan-3-ylmethyl)indazol-3-yl]-methoxymethanol?
The canonical SMILES for [6-fluoro-1-(oxolan-3-ylmethyl)indazol-3-yl]-methoxymethanol is COC(O)c1nn(CC2CCOC2)c2cc(F)ccc12.
What is the InChIKey of [6-fluoro-1-(oxolan-3-ylmethyl)indazol-3-yl]-methoxymethanol?
The InChIKey is HQGNFMXWVFSTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-19-14(18)13-11-3-2-10(15)6-12(11)17(16-13)7-9-4-5-20-8-9/h2-3,6,9,14,18H,4-5,7-8H2,1H3.
What are the key properties of [6-fluoro-1-(oxolan-3-ylmethyl)indazol-3-yl]-methoxymethanol?
[6-fluoro-1-(oxolan-3-ylmethyl)indazol-3-yl]-methoxymethanol has a molecular weight of 280.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-1-(oxolan-3-ylmethyl)indazol-3-yl]-methoxymethanol is sourced from PubChem (CID 146408827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).