5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

C8H4BrN3 — CID 53412943

IUPAC5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
SMILESN#Cc1nc2[nH]ccc2cc1Br
InChIInChI=1S/C8H4BrN3/c9-6-3-5-1-2-11-8(5)12-7(6)4-10/h1-3H,(H,11,12)
InChIKeyKSUFULNLPSLSMF-UHFFFAOYSA-N
MW222.05 g/mol
LogP2.20
Rot. Bonds

About 5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile (PubChem CID 53412943) has the molecular formula C8H4BrN3 and a molecular weight of 222.05 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
PubChem CID53412943
Molecular FormulaC8H4BrN3
Molecular Weight222.05 g/mol
Exact Mass220.96
IUPAC Name5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
SMILESN#Cc1nc2[nH]ccc2cc1Br
InChIInChI=1S/C8H4BrN3/c9-6-3-5-1-2-11-8(5)12-7(6)4-10/h1-3H,(H,11,12)
InChIKeyKSUFULNLPSLSMF-UHFFFAOYSA-N
XLogP2.20
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.05
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile (CID 53412943) is 5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile.
What is the SMILES notation for 5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile is N#Cc1nc2[nH]ccc2cc1Br.
What is the InChIKey of 5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
The InChIKey is KSUFULNLPSLSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrN3/c9-6-3-5-1-2-11-8(5)12-7(6)4-10/h1-3H,(H,11,12).
What are the key properties of 5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile has a molecular weight of 222.05 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile is sourced from PubChem (CID 53412943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).