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

C12H7ClFN3 — CID 59443149

IUPAC2-chloro-4-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1ccc(-c2nc(Cl)nc3[nH]ccc23)cc1
InChIInChI=1S/C12H7ClFN3/c13-12-16-10(7-1-3-8(14)4-2-7)9-5-6-15-11(9)17-12/h1-6H,(H,15,16,17)
InChIKeyIOERXGBTOARORM-UHFFFAOYSA-N
MW247.66 g/mol
LogP3.42
Rot. Bonds1

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

2-chloro-4-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 59443149) has the molecular formula C12H7ClFN3 and a molecular weight of 247.66 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID59443149
Molecular FormulaC12H7ClFN3
Molecular Weight247.66 g/mol
Exact Mass247.03
IUPAC Name2-chloro-4-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1ccc(-c2nc(Cl)nc3[nH]ccc23)cc1
InChIInChI=1S/C12H7ClFN3/c13-12-16-10(7-1-3-8(14)4-2-7)9-5-6-15-11(9)17-12/h1-6H,(H,15,16,17)
InChIKeyIOERXGBTOARORM-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 59443149) is 2-chloro-4-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine is Fc1ccc(-c2nc(Cl)nc3[nH]ccc23)cc1.
What is the InChIKey of 2-chloro-4-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is IOERXGBTOARORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3/c13-12-16-10(7-1-3-8(14)4-2-7)9-5-6-15-11(9)17-12/h1-6H,(H,15,16,17).
What are the key properties of 2-chloro-4-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine?
2-chloro-4-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 247.66 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 59443149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).