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

C10H12BrN3 — CID 84804643

IUPAC1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanamine
SMILESCNCc1cc2ncc(Br)cc2n1C
InChIInChI=1S/C10H12BrN3/c1-12-6-8-4-9-10(14(8)2)3-7(11)5-13-9/h3-5,12H,6H2,1-2H3
InChIKeyZJLIKFTWJASSSR-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.06
Rot. Bonds2

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

1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanamine (PubChem CID 84804643) 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)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanamine
PubChem CID84804643
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanamine
SMILESCNCc1cc2ncc(Br)cc2n1C
InChIInChI=1S/C10H12BrN3/c1-12-6-8-4-9-10(14(8)2)3-7(11)5-13-9/h3-5,12H,6H2,1-2H3
InChIKeyZJLIKFTWJASSSR-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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)-N-methylmethanamine?
The IUPAC name of 1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanamine (CID 84804643) is 1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanamine is CNCc1cc2ncc(Br)cc2n1C.
What is the InChIKey of 1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanamine?
The InChIKey is ZJLIKFTWJASSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-12-6-8-4-9-10(14(8)2)3-7(11)5-13-9/h3-5,12H,6H2,1-2H3.
What are the key properties of 1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanamine?
1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanamine has a molecular weight of 254.13 g/mol, XLogP of 2.06, 2 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)-N-methylmethanamine is sourced from PubChem (CID 84804643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).