2-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylethanamine

C11H14FN3 — CID 84779549

IUPAC2-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylethanamine
SMILESCNCCc1cc2ncc(F)cc2n1C
InChIInChI=1S/C11H14FN3/c1-13-4-3-9-6-10-11(15(9)2)5-8(12)7-14-10/h5-7,13H,3-4H2,1-2H3
InChIKeyNOTNSMWUPGWPGC-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.47
Rot. Bonds3

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

2-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylethanamine (PubChem CID 84779549) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylethanamine
PubChem CID84779549
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name2-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylethanamine
SMILESCNCCc1cc2ncc(F)cc2n1C
InChIInChI=1S/C11H14FN3/c1-13-4-3-9-6-10-11(15(9)2)5-8(12)7-14-10/h5-7,13H,3-4H2,1-2H3
InChIKeyNOTNSMWUPGWPGC-UHFFFAOYSA-N
XLogP1.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylethanamine (CID 84779549) is 2-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylethanamine is CNCCc1cc2ncc(F)cc2n1C.
What is the InChIKey of 2-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylethanamine?
The InChIKey is NOTNSMWUPGWPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-13-4-3-9-6-10-11(15(9)2)5-8(12)7-14-10/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 2-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylethanamine?
2-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylethanamine has a molecular weight of 207.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylethanamine is sourced from PubChem (CID 84779549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).