4-bromopyrrolo[3,2-b]pyridine

C7H5BrN2 — CID 141375457

IUPAC4-bromopyrrolo[3,2-b]pyridine
SMILESBrn1cccc2nccc1-2
InChIInChI=1S/C7H5BrN2/c8-10-5-1-2-6-7(10)3-4-9-6/h1-5H
InChIKeyMRMANVULLWAHNB-UHFFFAOYSA-N
MW197.04 g/mol
LogP2.15
Rot. Bonds

About 4-bromopyrrolo[3,2-b]pyridine

4-bromopyrrolo[3,2-b]pyridine (PubChem CID 141375457) has the molecular formula C7H5BrN2 and a molecular weight of 197.04 g/mol. Its IUPAC name is 4-bromopyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name4-bromopyrrolo[3,2-b]pyridine
PubChem CID141375457
Molecular FormulaC7H5BrN2
Molecular Weight197.04 g/mol
Exact Mass195.96
IUPAC Name4-bromopyrrolo[3,2-b]pyridine
SMILESBrn1cccc2nccc1-2
InChIInChI=1S/C7H5BrN2/c8-10-5-1-2-6-7(10)3-4-9-6/h1-5H
InChIKeyMRMANVULLWAHNB-UHFFFAOYSA-N
XLogP2.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.04
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-bromopyrrol-2-yl)pyrimidin-2-amine
CID 151683355
4-methylpyrrolo[3,2-b]pyridine;hydroiodide
CID 131675074
4-ethylpyrrolo[3,2-b]pyridine
CID 167069876
tris(2-pyridin-2-ylpyrrol-1-yl)borane
CID 153309075
methane;1-propan-2-ylimidazole;4-propan-2-ylpyrrolo[3,2-b]pyridine
CID 159677726
pyrrolo[3,2-b]azepine
CID 66934182
5-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 39045153
3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CID 12766261
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643

Frequently Asked Questions

What is the IUPAC name of 4-bromopyrrolo[3,2-b]pyridine?
The IUPAC name of 4-bromopyrrolo[3,2-b]pyridine (CID 141375457) is 4-bromopyrrolo[3,2-b]pyridine.
What is the SMILES notation for 4-bromopyrrolo[3,2-b]pyridine?
The canonical SMILES for 4-bromopyrrolo[3,2-b]pyridine is Brn1cccc2nccc1-2.
What is the InChIKey of 4-bromopyrrolo[3,2-b]pyridine?
The InChIKey is MRMANVULLWAHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2/c8-10-5-1-2-6-7(10)3-4-9-6/h1-5H.
What are the key properties of 4-bromopyrrolo[3,2-b]pyridine?
4-bromopyrrolo[3,2-b]pyridine has a molecular weight of 197.04 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyrrolo[3,2-b]pyridine is sourced from PubChem (CID 141375457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).