5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine

C12H14BrN3 — CID 117223794

IUPAC5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESBrc1cnc2c(ccn2CC2CCCN2)c1
InChIInChI=1S/C12H14BrN3/c13-10-6-9-3-5-16(12(9)15-7-10)8-11-2-1-4-14-11/h3,5-7,11,14H,1-2,4,8H2
InChIKeyCVUMYXFEIDDQKK-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.55
Rot. Bonds2

About 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine

5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine (PubChem CID 117223794) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine
PubChem CID117223794
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESBrc1cnc2c(ccn2CC2CCCN2)c1
InChIInChI=1S/C12H14BrN3/c13-10-6-9-3-5-16(12(9)15-7-10)8-11-2-1-4-14-11/h3,5-7,11,14H,1-2,4,8H2
InChIKeyCVUMYXFEIDDQKK-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine
CID 137488548
3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine
CID 117223845
5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one
CID 102819741
1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine
CID 156848421
3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973107
5-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 71641969
5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine
CID 97164291
5-bromo-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542194
5-bromo-2-(pyrrolidin-2-ylmethoxy)pyridine
CID 62347925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine (CID 117223794) is 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine is Brc1cnc2c(ccn2CC2CCCN2)c1.
What is the InChIKey of 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is CVUMYXFEIDDQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c13-10-6-9-3-5-16(12(9)15-7-10)8-11-2-1-4-14-11/h3,5-7,11,14H,1-2,4,8H2.
What are the key properties of 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine?
5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 280.17 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 117223794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).