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

C12H14BrN3 — CID 117223880

IUPAC2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESBrc1cc2cccnc2n1CC1CCNC1
InChIInChI=1S/C12H14BrN3/c13-11-6-10-2-1-4-15-12(10)16(11)8-9-3-5-14-7-9/h1-2,4,6,9,14H,3,5,7-8H2
InChIKeyRDJRDUYGTNXMLJ-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.41
Rot. Bonds2

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

2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine (PubChem CID 117223880) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine
PubChem CID117223880
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESBrc1cc2cccnc2n1CC1CCNC1
InChIInChI=1S/C12H14BrN3/c13-11-6-10-2-1-4-15-12(10)16(11)8-9-3-5-14-7-9/h1-2,4,6,9,14H,3,5,7-8H2
InChIKeyRDJRDUYGTNXMLJ-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine
CID 117223883
3-(pyrrolidin-3-ylmethyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162806
2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163234
2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633
2-(pyrrolidin-3-ylmethyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161141
2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117165834
2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160831
2-(oxan-4-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160721
3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796523
2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 62370521
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161227
1-(cyclopropylmethyl)-3-pyridin-2-yl-1,8-naphthyridin-2-one
CID 14941474

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine (CID 117223880) is 2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine is Brc1cc2cccnc2n1CC1CCNC1.
What is the InChIKey of 2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is RDJRDUYGTNXMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c13-11-6-10-2-1-4-15-12(10)16(11)8-9-3-5-14-7-9/h1-2,4,6,9,14H,3,5,7-8H2.
What are the key properties of 2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine?
2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 280.17 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 117223880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).