5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]

C10H11BrN2 — CID 146536580

IUPAC5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]
SMILESBrc1cnc2c(c1)C1(CCC1)CN2
InChIInChI=1S/C10H11BrN2/c11-7-4-8-9(12-5-7)13-6-10(8)2-1-3-10/h4-5H,1-3,6H2,(H,12,13)
InChIKeyIYSXEHKYXLDZEI-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.69
Rot. Bonds

About 5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]

5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane] (PubChem CID 146536580) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane].

Molecular Properties

Compound Name5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]
PubChem CID146536580
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]
SMILESBrc1cnc2c(c1)C1(CCC1)CN2
InChIInChI=1S/C10H11BrN2/c11-7-4-8-9(12-5-7)13-6-10(8)2-1-3-10/h4-5H,1-3,6H2,(H,12,13)
InChIKeyIYSXEHKYXLDZEI-UHFFFAOYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromospiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclobutane]-2-one
CID 115447279
8-bromospiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,4'-oxane]-2-one
CID 113310330
7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine
CID 59332894
1-(6-amino-2-fluoro-3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylphenyl)ethanone
CID 146537465
6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 115049494
(3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one
CID 167657849
5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]
CID 146536934
1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one
CID 146537210
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
CID 71304013
CID 140659181
CID 140659181
6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride
CID 155892914
1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one
CID 146536682

Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]?
The IUPAC name of 5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane] (CID 146536580) is 5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane].
What is the SMILES notation for 5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]?
The canonical SMILES for 5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane] is Brc1cnc2c(c1)C1(CCC1)CN2.
What is the InChIKey of 5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]?
The InChIKey is IYSXEHKYXLDZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c11-7-4-8-9(12-5-7)13-6-10(8)2-1-3-10/h4-5H,1-3,6H2,(H,12,13).
What are the key properties of 5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]?
5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane] has a molecular weight of 239.12 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane] is sourced from PubChem (CID 146536580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).