1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine

C11H12BrN3 — CID 117223802

IUPAC1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine
SMILESBrc1cnc2c(ccn2CC2CNC2)c1
InChIInChI=1S/C11H12BrN3/c12-10-3-9-1-2-15(11(9)14-6-10)7-8-4-13-5-8/h1-3,6,8,13H,4-5,7H2
InChIKeyRYKMMYLGGXGHFV-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.02
Rot. Bonds2

About 1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine

1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine (PubChem CID 117223802) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine
PubChem CID117223802
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine
SMILESBrc1cnc2c(ccn2CC2CNC2)c1
InChIInChI=1S/C11H12BrN3/c12-10-3-9-1-2-15(11(9)14-6-10)7-8-4-13-5-8/h1-3,6,8,13H,4-5,7H2
InChIKeyRYKMMYLGGXGHFV-UHFFFAOYSA-N
XLogP2.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine
CID 117223794
2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine
CID 117223836
2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde
CID 117223786
5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine
CID 118508217
3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine
CID 117223845
1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine
CID 137488548
1-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 145387413
2-[(5-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane
CID 155096535
1-(cyclohexylmethyl)-5-nitropyrrolo[2,3-b]pyridine
CID 90152555
5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine
CID 176562674
5-bromo-1-(cyclobutylmethyl)indole
CID 116619741
5-bromo-1-[2-(bromomethyl)-1,3-dioxan-5-yl]pyrrolo[2,3-b]pyridine
CID 176562159

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine (CID 117223802) is 1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine is Brc1cnc2c(ccn2CC2CNC2)c1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine?
The InChIKey is RYKMMYLGGXGHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c12-10-3-9-1-2-15(11(9)14-6-10)7-8-4-13-5-8/h1-3,6,8,13H,4-5,7H2.
What are the key properties of 1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine?
1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine has a molecular weight of 266.14 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine is sourced from PubChem (CID 117223802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).