5-fluoro-6-(hydroxymethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]oxane-3,4-diol

C10H15FN2O5 — CID 91209426

IUPAC5-fluoro-6-(hydroxymethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]oxane-3,4-diol
SMILESCc1cc(OC2OC(CO)C(F)C(O)C2O)n[nH]1
InChIInChI=1S/C10H15FN2O5/c1-4-2-6(13-12-4)18-10-9(16)8(15)7(11)5(3-14)17-10/h2,5,7-10,14-16H,3H2,1H3,(H,12,13)
InChIKeyAPQTUOYNOLRKBB-UHFFFAOYSA-N
MW262.24 g/mol
LogP-1.13
Rot. Bonds3

About 5-fluoro-6-(hydroxymethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]oxane-3,4-diol

5-fluoro-6-(hydroxymethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]oxane-3,4-diol (PubChem CID 91209426) has the molecular formula C10H15FN2O5 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-fluoro-6-(hydroxymethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]oxane-3,4-diol.

Molecular Properties

Compound Name5-fluoro-6-(hydroxymethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]oxane-3,4-diol
PubChem CID91209426
Molecular FormulaC10H15FN2O5
Molecular Weight262.24 g/mol
Exact Mass262.10
IUPAC Name5-fluoro-6-(hydroxymethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]oxane-3,4-diol
SMILESCc1cc(OC2OC(CO)C(F)C(O)C2O)n[nH]1
InChIInChI=1S/C10H15FN2O5/c1-4-2-6(13-12-4)18-10-9(16)8(15)7(11)5(3-14)17-10/h2,5,7-10,14-16H,3H2,1H3,(H,12,13)
InChIKeyAPQTUOYNOLRKBB-UHFFFAOYSA-N
XLogP-1.13
TPSA107.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-2-[[4-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 142905629
5-fluoro-2-[[4-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4-diol
CID 163671801
(3R,4R,5S,6R)-2-ethoxy-5-(18F)fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 15949155
2-[4-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 59533885
2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 59533901
(2R,3R,4R,5S,6S)-5-fluoro-6-(hydroxymethyl)oxane-2,3,4-triol
CID 51398012
(2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 89292161
2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 2844791
(2R,3R,4R,5R,6S)-2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 1379856
(2S,3R,4R,5S,6S)-2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7071601
2-(2,3-dihydroxy-5-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 22266908
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[5-methyl-4-[[4-(2-methylpropyl)phenyl]methyl]-1H-pyrazol-3-yl]oxy]oxane-3,4,5-triol
CID 90808144

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(hydroxymethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]oxane-3,4-diol?
The IUPAC name of 5-fluoro-6-(hydroxymethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]oxane-3,4-diol (CID 91209426) is 5-fluoro-6-(hydroxymethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]oxane-3,4-diol.
What is the SMILES notation for 5-fluoro-6-(hydroxymethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]oxane-3,4-diol?
The canonical SMILES for 5-fluoro-6-(hydroxymethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]oxane-3,4-diol is Cc1cc(OC2OC(CO)C(F)C(O)C2O)n[nH]1.
What is the InChIKey of 5-fluoro-6-(hydroxymethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]oxane-3,4-diol?
The InChIKey is APQTUOYNOLRKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O5/c1-4-2-6(13-12-4)18-10-9(16)8(15)7(11)5(3-14)17-10/h2,5,7-10,14-16H,3H2,1H3,(H,12,13).
What are the key properties of 5-fluoro-6-(hydroxymethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]oxane-3,4-diol?
5-fluoro-6-(hydroxymethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]oxane-3,4-diol has a molecular weight of 262.24 g/mol, XLogP of -1.13, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(hydroxymethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]oxane-3,4-diol is sourced from PubChem (CID 91209426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).