[5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol

C10H10ClFN4O2 — CID 3844403

IUPAC[5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol
SMILESOCC1CC(F)C(n2cnc3c(Cl)ncnc32)O1
InChIInChI=1S/C10H10ClFN4O2/c11-8-7-9(14-3-13-8)16(4-15-7)10-6(12)1-5(2-17)18-10/h3-6,10,17H,1-2H2
InChIKeyDZZDUTMJKITBNC-UHFFFAOYSA-N
MW272.67 g/mol
LogP1.10
Rot. Bonds2

About [5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol

[5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol (PubChem CID 3844403) has the molecular formula C10H10ClFN4O2 and a molecular weight of 272.67 g/mol. Its IUPAC name is [5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol
PubChem CID3844403
Molecular FormulaC10H10ClFN4O2
Molecular Weight272.67 g/mol
Exact Mass272.05
IUPAC Name[5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol
SMILESOCC1CC(F)C(n2cnc3c(Cl)ncnc32)O1
InChIInChI=1S/C10H10ClFN4O2/c11-8-7-9(14-3-13-8)16(4-15-7)10-6(12)1-5(2-17)18-10/h3-6,10,17H,1-2H2
InChIKeyDZZDUTMJKITBNC-UHFFFAOYSA-N
XLogP1.10
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.67
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol?
The IUPAC name of [5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol (CID 3844403) is [5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol.
What is the SMILES notation for [5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol?
The canonical SMILES for [5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol is OCC1CC(F)C(n2cnc3c(Cl)ncnc32)O1.
What is the InChIKey of [5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol?
The InChIKey is DZZDUTMJKITBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4O2/c11-8-7-9(14-3-13-8)16(4-15-7)10-6(12)1-5(2-17)18-10/h3-6,10,17H,1-2H2.
What are the key properties of [5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol?
[5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol has a molecular weight of 272.67 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol is sourced from PubChem (CID 3844403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).