5-chloro-4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine

C12H6ClF2N3O — CID 90645313

IUPAC5-chloro-4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1ccc(Oc2ncnc3[nH]cc(Cl)c23)c(F)c1
InChIInChI=1S/C12H6ClF2N3O/c13-7-4-16-11-10(7)12(18-5-17-11)19-9-2-1-6(14)3-8(9)15/h1-5H,(H,16,17,18)
InChIKeyOGPFIYLORKWHNT-UHFFFAOYSA-N
MW281.65 g/mol
LogP3.68
Rot. Bonds2

About 5-chloro-4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine

5-chloro-4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 90645313) has the molecular formula C12H6ClF2N3O and a molecular weight of 281.65 g/mol. Its IUPAC name is 5-chloro-4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID90645313
Molecular FormulaC12H6ClF2N3O
Molecular Weight281.65 g/mol
Exact Mass281.02
IUPAC Name5-chloro-4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1ccc(Oc2ncnc3[nH]cc(Cl)c23)c(F)c1
InChIInChI=1S/C12H6ClF2N3O/c13-7-4-16-11-10(7)12(18-5-17-11)19-9-2-1-6(14)3-8(9)15/h1-5H,(H,16,17,18)
InChIKeyOGPFIYLORKWHNT-UHFFFAOYSA-N
XLogP3.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.65
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-chloro-4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine (CID 90645313) is 5-chloro-4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-chloro-4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-chloro-4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine is Fc1ccc(Oc2ncnc3[nH]cc(Cl)c23)c(F)c1.
What is the InChIKey of 5-chloro-4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is OGPFIYLORKWHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N3O/c13-7-4-16-11-10(7)12(18-5-17-11)19-9-2-1-6(14)3-8(9)15/h1-5H,(H,16,17,18).
What are the key properties of 5-chloro-4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine?
5-chloro-4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 281.65 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 90645313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).