1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine

C10H12BrN3 — CID 117223825

IUPAC1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine
SMILESCNC(C)n1ccc2cc(Br)cnc21
InChIInChI=1S/C10H12BrN3/c1-7(12-2)14-4-3-8-5-9(11)6-13-10(8)14/h3-7,12H,1-2H3
InChIKeyRNINAQDXWVELLT-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.54
Rot. Bonds2

About 1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine

1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine (PubChem CID 117223825) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine
PubChem CID117223825
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine
SMILESCNC(C)n1ccc2cc(Br)cnc21
InChIInChI=1S/C10H12BrN3/c1-7(12-2)14-4-3-8-5-9(11)6-13-10(8)14/h3-7,12H,1-2H3
InChIKeyRNINAQDXWVELLT-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine
CID 66575319
2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine
CID 117223836
5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine
CID 174031450
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-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine
CID 153402378
3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine
CID 117223845
5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine
CID 155288997
1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine
CID 117223802
5-bromo-1-[2-(bromomethyl)-1,3-dioxan-5-yl]pyrrolo[2,3-b]pyridine
CID 176562159
2-[(5-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane
CID 155096535
1-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylmethanamine
CID 117223819

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine?
The IUPAC name of 1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine (CID 117223825) is 1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine is CNC(C)n1ccc2cc(Br)cnc21.
What is the InChIKey of 1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine?
The InChIKey is RNINAQDXWVELLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-7(12-2)14-4-3-8-5-9(11)6-13-10(8)14/h3-7,12H,1-2H3.
What are the key properties of 1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine?
1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine has a molecular weight of 254.13 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine is sourced from PubChem (CID 117223825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).