3-methyl-7aH-pyrrolo[3,2-b]pyridine

C8H8N2 — CID 166590174

IUPAC3-methyl-7aH-pyrrolo[3,2-b]pyridine
SMILESCC1=C2N=CC=CC2N=C1
InChIInChI=1S/C8H8N2/c1-6-5-10-7-3-2-4-9-8(6)7/h2-5,7H,1H3
InChIKeyOHPVJZBTLSORCS-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.35
Rot. Bonds

About 3-methyl-7aH-pyrrolo[3,2-b]pyridine

3-methyl-7aH-pyrrolo[3,2-b]pyridine (PubChem CID 166590174) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 3-methyl-7aH-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-methyl-7aH-pyrrolo[3,2-b]pyridine
PubChem CID166590174
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name3-methyl-7aH-pyrrolo[3,2-b]pyridine
SMILESCC1=C2N=CC=CC2N=C1
InChIInChI=1S/C8H8N2/c1-6-5-10-7-3-2-4-9-8(6)7/h2-5,7H,1H3
InChIKeyOHPVJZBTLSORCS-UHFFFAOYSA-N
XLogP1.35
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine
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2-Methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7aH-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-methyl-7aH-pyrrolo[3,2-b]pyridine (CID 166590174) is 3-methyl-7aH-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-methyl-7aH-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-methyl-7aH-pyrrolo[3,2-b]pyridine is CC1=C2N=CC=CC2N=C1.
What is the InChIKey of 3-methyl-7aH-pyrrolo[3,2-b]pyridine?
The InChIKey is OHPVJZBTLSORCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-6-5-10-7-3-2-4-9-8(6)7/h2-5,7H,1H3.
What are the key properties of 3-methyl-7aH-pyrrolo[3,2-b]pyridine?
3-methyl-7aH-pyrrolo[3,2-b]pyridine has a molecular weight of 132.17 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7aH-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 166590174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).