4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine

C18H11ClFN3 — CID 2049547

IUPAC4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
SMILESFc1ccc(-n2cc(-c3ccccc3)c3c(Cl)ncnc32)cc1
InChIInChI=1S/C18H11ClFN3/c19-17-16-15(12-4-2-1-3-5-12)10-23(18(16)22-11-21-17)14-8-6-13(20)7-9-14/h1-11H
InChIKeySQVDQPOKEWXAPI-UHFFFAOYSA-N
MW323.76 g/mol
LogP4.88
Rot. Bonds2

About 4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine

4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine (PubChem CID 2049547) has the molecular formula C18H11ClFN3 and a molecular weight of 323.76 g/mol. Its IUPAC name is 4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
PubChem CID2049547
Molecular FormulaC18H11ClFN3
Molecular Weight323.76 g/mol
Exact Mass323.06
IUPAC Name4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
SMILESFc1ccc(-n2cc(-c3ccccc3)c3c(Cl)ncnc32)cc1
InChIInChI=1S/C18H11ClFN3/c19-17-16-15(12-4-2-1-3-5-12)10-23(18(16)22-11-21-17)14-8-6-13(20)7-9-14/h1-11H
InChIKeySQVDQPOKEWXAPI-UHFFFAOYSA-N
XLogP4.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine (CID 2049547) is 4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine is Fc1ccc(-n2cc(-c3ccccc3)c3c(Cl)ncnc32)cc1.
What is the InChIKey of 4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine?
The InChIKey is SQVDQPOKEWXAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3/c19-17-16-15(12-4-2-1-3-5-12)10-23(18(16)22-11-21-17)14-8-6-13(20)7-9-14/h1-11H.
What are the key properties of 4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine?
4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine has a molecular weight of 323.76 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 2049547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).