5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

C8H3BrClN3 — CID 171820297

IUPAC5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
SMILESN#Cc1nc2[nH]ccc2c(Cl)c1Br
InChIInChI=1S/C8H3BrClN3/c9-6-5(3-11)13-8-4(7(6)10)1-2-12-8/h1-2H,(H,12,13)
InChIKeySGCLNFSQKALZKT-UHFFFAOYSA-N
MW256.49 g/mol
LogP2.85
Rot. Bonds

About 5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile (PubChem CID 171820297) has the molecular formula C8H3BrClN3 and a molecular weight of 256.49 g/mol. Its IUPAC name is 5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
PubChem CID171820297
Molecular FormulaC8H3BrClN3
Molecular Weight256.49 g/mol
Exact Mass254.92
IUPAC Name5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
SMILESN#Cc1nc2[nH]ccc2c(Cl)c1Br
InChIInChI=1S/C8H3BrClN3/c9-6-5(3-11)13-8-4(7(6)10)1-2-12-8/h1-2H,(H,12,13)
InChIKeySGCLNFSQKALZKT-UHFFFAOYSA-N
XLogP2.85
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
The IUPAC name of 5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile (CID 171820297) is 5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile.
What is the SMILES notation for 5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
The canonical SMILES for 5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile is N#Cc1nc2[nH]ccc2c(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
The InChIKey is SGCLNFSQKALZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClN3/c9-6-5(3-11)13-8-4(7(6)10)1-2-12-8/h1-2H,(H,12,13).
What are the key properties of 5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile has a molecular weight of 256.49 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile is sourced from PubChem (CID 171820297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).