5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile

C8H4BrN3 — CID 137347704

IUPAC5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile
SMILESN#Cc1cc(Br)c2ccncn12
InChIInChI=1S/C8H4BrN3/c9-7-3-6(4-10)12-5-11-2-1-8(7)12/h1-3,5H
InChIKeyOJELXVKMMLBAEK-UHFFFAOYSA-N
MW222.05 g/mol
LogP1.97
Rot. Bonds

About 5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile

5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile (PubChem CID 137347704) has the molecular formula C8H4BrN3 and a molecular weight of 222.05 g/mol. Its IUPAC name is 5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile
PubChem CID137347704
Molecular FormulaC8H4BrN3
Molecular Weight222.05 g/mol
Exact Mass220.96
IUPAC Name5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile
SMILESN#Cc1cc(Br)c2ccncn12
InChIInChI=1S/C8H4BrN3/c9-7-3-6(4-10)12-5-11-2-1-8(7)12/h1-3,5H
InChIKeyOJELXVKMMLBAEK-UHFFFAOYSA-N
XLogP1.97
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.05
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile?
The IUPAC name of 5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile (CID 137347704) is 5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile.
What is the SMILES notation for 5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile?
The canonical SMILES for 5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile is N#Cc1cc(Br)c2ccncn12.
What is the InChIKey of 5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile?
The InChIKey is OJELXVKMMLBAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrN3/c9-7-3-6(4-10)12-5-11-2-1-8(7)12/h1-3,5H.
What are the key properties of 5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile?
5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile has a molecular weight of 222.05 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile is sourced from PubChem (CID 137347704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).