3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine

C10H12BrN3 — CID 117223845

IUPAC3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine
SMILESNCCCn1ccc2cc(Br)cnc21
InChIInChI=1S/C10H12BrN3/c11-9-6-8-2-5-14(4-1-3-12)10(8)13-7-9/h2,5-7H,1,3-4,12H2
InChIKeyPUBQRVLDMWUGIY-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.15
Rot. Bonds3

About 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine

3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine (PubChem CID 117223845) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine
PubChem CID117223845
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine
SMILESNCCCn1ccc2cc(Br)cnc21
InChIInChI=1S/C10H12BrN3/c11-9-6-8-2-5-14(4-1-3-12)10(8)13-7-9/h2,5-7H,1,3-4,12H2
InChIKeyPUBQRVLDMWUGIY-UHFFFAOYSA-N
XLogP2.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.15
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-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine
CID 117223802
4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine
CID 71778142
2-[(5-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane
CID 155096535
5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine
CID 117223794
4-(6-bromoindol-1-yl)butan-1-amine
CID 62566051
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061806
3-indol-1-ylpropan-1-amine
CID 2512786
1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine
CID 117223825
5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine
CID 66575319

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine?
The IUPAC name of 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine (CID 117223845) is 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine?
The canonical SMILES for 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine is NCCCn1ccc2cc(Br)cnc21.
What is the InChIKey of 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine?
The InChIKey is PUBQRVLDMWUGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c11-9-6-8-2-5-14(4-1-3-12)10(8)13-7-9/h2,5-7H,1,3-4,12H2.
What are the key properties of 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine?
3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine has a molecular weight of 254.13 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine is sourced from PubChem (CID 117223845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).