[5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol

C11H11ClFN3O2 — CID 156542783

IUPAC[5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
SMILESOCC1CCC(n2cc(F)c3c(Cl)ncnc32)O1
InChIInChI=1S/C11H11ClFN3O2/c12-10-9-7(13)3-16(11(9)15-5-14-10)8-2-1-6(4-17)18-8/h3,5-6,8,17H,1-2,4H2
InChIKeyKETUSKGMRNUEIX-UHFFFAOYSA-N
MW271.68 g/mol
LogP1.89
Rot. Bonds2

About [5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol

[5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol (PubChem CID 156542783) has the molecular formula C11H11ClFN3O2 and a molecular weight of 271.68 g/mol. Its IUPAC name is [5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
PubChem CID156542783
Molecular FormulaC11H11ClFN3O2
Molecular Weight271.68 g/mol
Exact Mass271.05
IUPAC Name[5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
SMILESOCC1CCC(n2cc(F)c3c(Cl)ncnc32)O1
InChIInChI=1S/C11H11ClFN3O2/c12-10-9-7(13)3-16(11(9)15-5-14-10)8-2-1-6(4-17)18-8/h3,5-6,8,17H,1-2,4H2
InChIKeyKETUSKGMRNUEIX-UHFFFAOYSA-N
XLogP1.89
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
The IUPAC name of [5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol (CID 156542783) is [5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
The canonical SMILES for [5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol is OCC1CCC(n2cc(F)c3c(Cl)ncnc32)O1.
What is the InChIKey of [5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
The InChIKey is KETUSKGMRNUEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2/c12-10-9-7(13)3-16(11(9)15-5-14-10)8-2-1-6(4-17)18-8/h3,5-6,8,17H,1-2,4H2.
What are the key properties of [5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
[5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol has a molecular weight of 271.68 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 156542783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).