7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one

C12H8BrN3O — CID 137035302

IUPAC7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1ccn2-c1cccc(Br)c1
InChIInChI=1S/C12H8BrN3O/c13-8-2-1-3-9(6-8)16-5-4-10-11(16)14-7-15-12(10)17/h1-7H,(H,14,15,17)
InChIKeyUZXOGLKGYZXDBM-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.48
Rot. Bonds1

About 7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one

7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137035302) has the molecular formula C12H8BrN3O and a molecular weight of 290.12 g/mol. Its IUPAC name is 7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137035302
Molecular FormulaC12H8BrN3O
Molecular Weight290.12 g/mol
Exact Mass288.99
IUPAC Name7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1ccn2-c1cccc(Br)c1
InChIInChI=1S/C12H8BrN3O/c13-8-2-1-3-9(6-8)16-5-4-10-11(16)14-7-15-12(10)17/h1-7H,(H,14,15,17)
InChIKeyUZXOGLKGYZXDBM-UHFFFAOYSA-N
XLogP2.48
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 137035302) is 7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2c1ccn2-c1cccc(Br)c1.
What is the InChIKey of 7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is UZXOGLKGYZXDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O/c13-8-2-1-3-9(6-8)16-5-4-10-11(16)14-7-15-12(10)17/h1-7H,(H,14,15,17).
What are the key properties of 7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 290.12 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137035302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).