5-ethynyl-1-methylpyrrolo[2,3-b]pyridine

C10H8N2 — CID 130121023

IUPAC5-ethynyl-1-methylpyrrolo[2,3-b]pyridine
SMILESC#Cc1cnc2c(ccn2C)c1
InChIInChI=1S/C10H8N2/c1-3-8-6-9-4-5-12(2)10(9)11-7-8/h1,4-7H,2H3
InChIKeyLWGLPWVBRSJCMA-UHFFFAOYSA-N
MW156.19 g/mol
LogP1.55
Rot. Bonds

About 5-ethynyl-1-methylpyrrolo[2,3-b]pyridine

5-ethynyl-1-methylpyrrolo[2,3-b]pyridine (PubChem CID 130121023) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-ethynyl-1-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-ethynyl-1-methylpyrrolo[2,3-b]pyridine
PubChem CID130121023
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name5-ethynyl-1-methylpyrrolo[2,3-b]pyridine
SMILESC#Cc1cnc2c(ccn2C)c1
InChIInChI=1S/C10H8N2/c1-3-8-6-9-4-5-12(2)10(9)11-7-8/h1,4-7H,2H3
InChIKeyLWGLPWVBRSJCMA-UHFFFAOYSA-N
XLogP1.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-1-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-ethynyl-1-methylpyrrolo[2,3-b]pyridine (CID 130121023) is 5-ethynyl-1-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-ethynyl-1-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-ethynyl-1-methylpyrrolo[2,3-b]pyridine is C#Cc1cnc2c(ccn2C)c1.
What is the InChIKey of 5-ethynyl-1-methylpyrrolo[2,3-b]pyridine?
The InChIKey is LWGLPWVBRSJCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-3-8-6-9-4-5-12(2)10(9)11-7-8/h1,4-7H,2H3.
What are the key properties of 5-ethynyl-1-methylpyrrolo[2,3-b]pyridine?
5-ethynyl-1-methylpyrrolo[2,3-b]pyridine has a molecular weight of 156.19 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-1-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 130121023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).