4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile

C15H9Br2N5 — CID 162199854

IUPAC4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile
SMILESBrc1cncc2[nH]ccc12.N#Cc1ncc(Br)c2cc[nH]c12
InChIInChI=1S/C8H4BrN3.C7H5BrN2/c9-6-4-12-7(3-10)8-5(6)1-2-11-8;8-6-3-9-4-7-5(6)1-2-10-7/h1-2,4,11H;1-4,10H
InChIKeyZRKXUUKANJMDAA-UHFFFAOYSA-N
MW419.08 g/mol
LogP4.52
Rot. Bonds

About 4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile

4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile (PubChem CID 162199854) has the molecular formula C15H9Br2N5 and a molecular weight of 419.08 g/mol. Its IUPAC name is 4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile
PubChem CID162199854
Molecular FormulaC15H9Br2N5
Molecular Weight419.08 g/mol
Exact Mass416.92
IUPAC Name4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile
SMILESBrc1cncc2[nH]ccc12.N#Cc1ncc(Br)c2cc[nH]c12
InChIInChI=1S/C8H4BrN3.C7H5BrN2/c9-6-4-12-7(3-10)8-5(6)1-2-11-8;8-6-3-9-4-7-5(6)1-2-10-7/h1-2,4,11H;1-4,10H
InChIKeyZRKXUUKANJMDAA-UHFFFAOYSA-N
XLogP4.52
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.08
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-7-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
CID 123392944
4-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen
CID 163390564
4-bromo-5-chloro-1H-pyrrolo[2,3-c]pyridine
CID 142474950
4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine
CID 121335226
5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 171820297
6-tert-butyl-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile
CID 153319600
4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile
CID 67966067
4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 166828277
4-bromo-1H-indole-6-carbaldehyde
CID 172740463
4,5-dibromopyridine-2-carbonitrile
CID 118846548
3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130108664
3-chloro-5-[2-(1H-indol-5-yl)ethynyl]pyridine-2-carbonitrile
CID 66892311

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile?
The IUPAC name of 4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile (CID 162199854) is 4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile.
What is the SMILES notation for 4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile?
The canonical SMILES for 4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile is Brc1cncc2[nH]ccc12.N#Cc1ncc(Br)c2cc[nH]c12.
What is the InChIKey of 4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile?
The InChIKey is ZRKXUUKANJMDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrN3.C7H5BrN2/c9-6-4-12-7(3-10)8-5(6)1-2-11-8;8-6-3-9-4-7-5(6)1-2-10-7/h1-2,4,11H;1-4,10H.
What are the key properties of 4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile?
4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile has a molecular weight of 419.08 g/mol, XLogP of 4.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile is sourced from PubChem (CID 162199854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).