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

C12H7F2N3O — CID 90645316

IUPAC4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1ccc(Oc2ncnc3[nH]ccc23)c(F)c1
InChIInChI=1S/C12H7F2N3O/c13-7-1-2-10(9(14)5-7)18-12-8-3-4-15-11(8)16-6-17-12/h1-6H,(H,15,16,17)
InChIKeyKRKWCQHXZXSWFM-UHFFFAOYSA-N
MW247.20 g/mol
LogP3.03
Rot. Bonds2

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

4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 90645316) has the molecular formula C12H7F2N3O and a molecular weight of 247.20 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID90645316
Molecular FormulaC12H7F2N3O
Molecular Weight247.20 g/mol
Exact Mass247.06
IUPAC Name4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1ccc(Oc2ncnc3[nH]ccc23)c(F)c1
InChIInChI=1S/C12H7F2N3O/c13-7-1-2-10(9(14)5-7)18-12-8-3-4-15-11(8)16-6-17-12/h1-6H,(H,15,16,17)
InChIKeyKRKWCQHXZXSWFM-UHFFFAOYSA-N
XLogP3.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine (CID 90645316) is 4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine is Fc1ccc(Oc2ncnc3[nH]ccc23)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is KRKWCQHXZXSWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O/c13-7-1-2-10(9(14)5-7)18-12-8-3-4-15-11(8)16-6-17-12/h1-6H,(H,15,16,17).
What are the key properties of 4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine?
4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 247.20 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 90645316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).