4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine

C6H3ClFN3 — CID 11321224

IUPAC4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C6H3ClFN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11)
InChIKeyOOBFPXOXHUBRDN-UHFFFAOYSA-N
MW171.56 g/mol
LogP1.75
Rot. Bonds

About 4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine

4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 11321224) has the molecular formula C6H3ClFN3 and a molecular weight of 171.56 g/mol. Its IUPAC name is 4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID11321224
Molecular FormulaC6H3ClFN3
Molecular Weight171.56 g/mol
Exact Mass171.00
IUPAC Name4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C6H3ClFN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11)
InChIKeyOOBFPXOXHUBRDN-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.56
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine (CID 11321224) is 4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine is Fc1c[nH]c2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is OOBFPXOXHUBRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11).
What are the key properties of 4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine?
4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 171.56 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 11321224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).