1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine

C10H12BrN3 — CID 84804647

IUPAC1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine
SMILESCC(N)c1cc2ncc(Br)cc2n1C
InChIInChI=1S/C10H12BrN3/c1-6(12)9-4-8-10(14(9)2)3-7(11)5-13-8/h3-6H,12H2,1-2H3
InChIKeyVROXRDUEUNRYMB-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.36
Rot. Bonds1

About 1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine

1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine (PubChem CID 84804647) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine
PubChem CID84804647
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine
SMILESCC(N)c1cc2ncc(Br)cc2n1C
InChIInChI=1S/C10H12BrN3/c1-6(12)9-4-8-10(14(9)2)3-7(11)5-13-8/h3-6H,12H2,1-2H3
InChIKeyVROXRDUEUNRYMB-UHFFFAOYSA-N
XLogP2.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine?
The IUPAC name of 1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine (CID 84804647) is 1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine.
What is the SMILES notation for 1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine?
The canonical SMILES for 1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine is CC(N)c1cc2ncc(Br)cc2n1C.
What is the InChIKey of 1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine?
The InChIKey is VROXRDUEUNRYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-6(12)9-4-8-10(14(9)2)3-7(11)5-13-8/h3-6H,12H2,1-2H3.
What are the key properties of 1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine?
1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine has a molecular weight of 254.13 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine is sourced from PubChem (CID 84804647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).