2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol

C11H15N3O — CID 66411195

IUPAC2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol
SMILESCNCc1cn(CCO)c2ncccc12
InChIInChI=1S/C11H15N3O/c1-12-7-9-8-14(5-6-15)11-10(9)3-2-4-13-11/h2-4,8,12,15H,5-7H2,1H3
InChIKeyIFKMJCPCRLUUOG-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.75
Rot. Bonds4

About 2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol

2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol (PubChem CID 66411195) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol
PubChem CID66411195
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol
SMILESCNCc1cn(CCO)c2ncccc12
InChIInChI=1S/C11H15N3O/c1-12-7-9-8-14(5-6-15)11-10(9)3-2-4-13-11/h2-4,8,12,15H,5-7H2,1H3
InChIKeyIFKMJCPCRLUUOG-UHFFFAOYSA-N
XLogP0.75
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol?
The IUPAC name of 2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol (CID 66411195) is 2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol?
The canonical SMILES for 2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol is CNCc1cn(CCO)c2ncccc12.
What is the InChIKey of 2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol?
The InChIKey is IFKMJCPCRLUUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-12-7-9-8-14(5-6-15)11-10(9)3-2-4-13-11/h2-4,8,12,15H,5-7H2,1H3.
What are the key properties of 2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol?
2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol has a molecular weight of 205.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol is sourced from PubChem (CID 66411195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).