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

C6H4FN3 — CID 157124707

IUPAC6-fluoro-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1cc2cncnc2[nH]1
InChIInChI=1S/C6H4FN3/c7-5-1-4-2-8-3-9-6(4)10-5/h1-3H,(H,8,9,10)
InChIKeyAIJJZBMQRQYPOZ-UHFFFAOYSA-N
MW137.12 g/mol
LogP1.10
Rot. Bonds

About 6-fluoro-7H-pyrrolo[2,3-d]pyrimidine

6-fluoro-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 157124707) has the molecular formula C6H4FN3 and a molecular weight of 137.12 g/mol. Its IUPAC name is 6-fluoro-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-fluoro-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID157124707
Molecular FormulaC6H4FN3
Molecular Weight137.12 g/mol
Exact Mass137.04
IUPAC Name6-fluoro-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1cc2cncnc2[nH]1
InChIInChI=1S/C6H4FN3/c7-5-1-4-2-8-3-9-6(4)10-5/h1-3H,(H,8,9,10)
InChIKeyAIJJZBMQRQYPOZ-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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-fluoro-7H-pyrrolo[2,3-d]pyrimidine (CID 157124707) is 6-fluoro-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-fluoro-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-fluoro-7H-pyrrolo[2,3-d]pyrimidine is Fc1cc2cncnc2[nH]1.
What is the InChIKey of 6-fluoro-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is AIJJZBMQRQYPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN3/c7-5-1-4-2-8-3-9-6(4)10-5/h1-3H,(H,8,9,10).
What are the key properties of 6-fluoro-7H-pyrrolo[2,3-d]pyrimidine?
6-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 6-fluoro-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 157124707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).