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

C12H8BrN3 — CID 91620620

IUPAC5-bromo-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1cnc2[nH]cc(-c3ccncc3)c2c1
InChIInChI=1S/C12H8BrN3/c13-9-5-10-11(7-16-12(10)15-6-9)8-1-3-14-4-2-8/h1-7H,(H,15,16)
InChIKeyPMQFQZZCGFKDNV-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.39
Rot. Bonds1

About 5-bromo-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine

5-bromo-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 91620620) has the molecular formula C12H8BrN3 and a molecular weight of 274.12 g/mol. Its IUPAC name is 5-bromo-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID91620620
Molecular FormulaC12H8BrN3
Molecular Weight274.12 g/mol
Exact Mass272.99
IUPAC Name5-bromo-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1cnc2[nH]cc(-c3ccncc3)c2c1
InChIInChI=1S/C12H8BrN3/c13-9-5-10-11(7-16-12(10)15-6-9)8-1-3-14-4-2-8/h1-7H,(H,15,16)
InChIKeyPMQFQZZCGFKDNV-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine (CID 91620620) is 5-bromo-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine is Brc1cnc2[nH]cc(-c3ccncc3)c2c1.
What is the InChIKey of 5-bromo-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PMQFQZZCGFKDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3/c13-9-5-10-11(7-16-12(10)15-6-9)8-1-3-14-4-2-8/h1-7H,(H,15,16).
What are the key properties of 5-bromo-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 274.12 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 91620620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).