3-methyl-1H-pyrrolo[2,3-b]pyridine

C8H8N2 — CID 10931471

IUPAC3-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2ncccc12
InChIInChI=1S/C8H8N2/c1-6-5-10-8-7(6)3-2-4-9-8/h2-5H,1H3,(H,9,10)
InChIKeyPKZDPOGLGBWEGP-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.87
Rot. Bonds

About 3-methyl-1H-pyrrolo[2,3-b]pyridine

3-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10931471) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 3-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID10931471
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name3-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2ncccc12
InChIInChI=1S/C8H8N2/c1-6-5-10-8-7(6)3-2-4-9-8/h2-5H,1H3,(H,9,10)
InChIKeyPKZDPOGLGBWEGP-UHFFFAOYSA-N
XLogP1.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-methyl-1H-pyrrolo[2,3-b]pyridine (CID 10931471) is 3-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-methyl-1H-pyrrolo[2,3-b]pyridine is Cc1c[nH]c2ncccc12.
What is the InChIKey of 3-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PKZDPOGLGBWEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-6-5-10-8-7(6)3-2-4-9-8/h2-5H,1H3,(H,9,10).
What are the key properties of 3-methyl-1H-pyrrolo[2,3-b]pyridine?
3-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 132.17 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10931471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).