4-fluoro-7H-pyrrolo[2,3-d]pyrimidine

C6H4FN3 — CID 77134589

IUPAC4-fluoro-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1ncnc2[nH]ccc12
InChIInChI=1S/C6H4FN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
InChIKeyORQHFSOUNIIZLA-UHFFFAOYSA-N
MW137.12 g/mol
LogP1.10
Rot. Bonds

About 4-fluoro-7H-pyrrolo[2,3-d]pyrimidine

4-fluoro-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 77134589) has the molecular formula C6H4FN3 and a molecular weight of 137.12 g/mol. Its IUPAC name is 4-fluoro-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-fluoro-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID77134589
Molecular FormulaC6H4FN3
Molecular Weight137.12 g/mol
Exact Mass137.04
IUPAC Name4-fluoro-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1ncnc2[nH]ccc12
InChIInChI=1S/C6H4FN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
InChIKeyORQHFSOUNIIZLA-UHFFFAOYSA-N
XLogP1.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.12
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-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-fluoro-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-fluoro-7H-pyrrolo[2,3-d]pyrimidine (CID 77134589) is 4-fluoro-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-fluoro-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-fluoro-7H-pyrrolo[2,3-d]pyrimidine is Fc1ncnc2[nH]ccc12.
What is the InChIKey of 4-fluoro-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is ORQHFSOUNIIZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10).
What are the key properties of 4-fluoro-7H-pyrrolo[2,3-d]pyrimidine?
4-fluoro-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 137.12 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 77134589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).