5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine

C12H8BrN3 — CID 66575319

IUPAC5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine
SMILESBrc1cnc2c(ccn2-c2ccccn2)c1
InChIInChI=1S/C12H8BrN3/c13-10-7-9-4-6-16(12(9)15-8-10)11-3-1-2-5-14-11/h1-8H
InChIKeyXIMFVSCCKQNLHO-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.18
Rot. Bonds1

About 5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine

5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine (PubChem CID 66575319) has the molecular formula C12H8BrN3 and a molecular weight of 274.12 g/mol. Its IUPAC name is 5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine
PubChem CID66575319
Molecular FormulaC12H8BrN3
Molecular Weight274.12 g/mol
Exact Mass272.99
IUPAC Name5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine
SMILESBrc1cnc2c(ccn2-c2ccccn2)c1
InChIInChI=1S/C12H8BrN3/c13-10-7-9-4-6-16(12(9)15-8-10)11-3-1-2-5-14-11/h1-8H
InChIKeyXIMFVSCCKQNLHO-UHFFFAOYSA-N
XLogP3.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol
CID 155930864
5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine
CID 118508217
6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79306561
1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine
CID 117223825
2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine
CID 117223836
2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde
CID 117223786
6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79307040
N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 11313605
3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine
CID 117223845
1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine
CID 117223802
5-bromo-1-[2-(bromomethyl)-1,3-dioxan-5-yl]pyrrolo[2,3-b]pyridine
CID 176562159
N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 23646644

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine (CID 66575319) is 5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine is Brc1cnc2c(ccn2-c2ccccn2)c1.
What is the InChIKey of 5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine?
The InChIKey is XIMFVSCCKQNLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3/c13-10-7-9-4-6-16(12(9)15-8-10)11-3-1-2-5-14-11/h1-8H.
What are the key properties of 5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine?
5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine has a molecular weight of 274.12 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 66575319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).