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

C10H12ClN3 — CID 117223833

IUPAC2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine
SMILESCNCCn1ccc2cc(Cl)cnc21
InChIInChI=1S/C10H12ClN3/c1-12-3-5-14-4-2-8-6-9(11)7-13-10(8)14/h2,4,6-7,12H,3,5H2,1H3
InChIKeyANHFPUCSILHDSV-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.91
Rot. Bonds3

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

2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine (PubChem CID 117223833) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine
PubChem CID117223833
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine
SMILESCNCCn1ccc2cc(Cl)cnc21
InChIInChI=1S/C10H12ClN3/c1-12-3-5-14-4-2-8-6-9(11)7-13-10(8)14/h2,4,6-7,12H,3,5H2,1H3
InChIKeyANHFPUCSILHDSV-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine?
The IUPAC name of 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine (CID 117223833) is 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine is CNCCn1ccc2cc(Cl)cnc21.
What is the InChIKey of 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine?
The InChIKey is ANHFPUCSILHDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-12-3-5-14-4-2-8-6-9(11)7-13-10(8)14/h2,4,6-7,12H,3,5H2,1H3.
What are the key properties of 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine?
2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine has a molecular weight of 209.68 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine is sourced from PubChem (CID 117223833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).