4-bromo-1H-pyrrolo[2,3-b]pyridine

C7H5BrN2 — CID 22273643

IUPAC4-bromo-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1ccnc2[nH]ccc12
InChIInChI=1S/C7H5BrN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)
InChIKeyLEZHTYOQWQEBLH-UHFFFAOYSA-N
MW197.04 g/mol
LogP2.33
Rot. Bonds

About 4-bromo-1H-pyrrolo[2,3-b]pyridine

4-bromo-1H-pyrrolo[2,3-b]pyridine (PubChem CID 22273643) has the molecular formula C7H5BrN2 and a molecular weight of 197.04 g/mol. Its IUPAC name is 4-bromo-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-bromo-1H-pyrrolo[2,3-b]pyridine
PubChem CID22273643
Molecular FormulaC7H5BrN2
Molecular Weight197.04 g/mol
Exact Mass195.96
IUPAC Name4-bromo-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1ccnc2[nH]ccc12
InChIInChI=1S/C7H5BrN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)
InChIKeyLEZHTYOQWQEBLH-UHFFFAOYSA-N
XLogP2.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.04
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-Pyrrolo(2,3-b)pyridine
CID 9222
Rolodine
CID 5359646
6-Bromo-4-azabenzimidazole
CID 911578
3H-Imidazo(4,5-b)pyridine, 6-bromo-5-methyl-
CID 5310884
5-bromo-1H-pyrrolo[2,3-b]pyridine
CID 10307932
7-Azaindole-3-carbonitrile
CID 10313195
4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 70728319
5-Fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784462
5-Chloro-1H-pyrrolo[2,3-b]pyridine
CID 24229213
6-bromo-2-methyl-1H-imidazo(4,5-b)pyridine
CID 1958572
2-(tert-butyl)-1H-pyrrolo[2,3-b]pyridine
CID 1484967
3-Iodo-7-azaindole
CID 5377078

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-bromo-1H-pyrrolo[2,3-b]pyridine (CID 22273643) is 4-bromo-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-bromo-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-bromo-1H-pyrrolo[2,3-b]pyridine is Brc1ccnc2[nH]ccc12.
What is the InChIKey of 4-bromo-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LEZHTYOQWQEBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10).
What are the key properties of 4-bromo-1H-pyrrolo[2,3-b]pyridine?
4-bromo-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 197.04 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 22273643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).