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

C8H8N2 — CID 153359244

IUPAC3-methyl-3aH-pyrrolo[2,3-b]pyridine
SMILESCC1=CN=C2N=CC=CC12
InChIInChI=1S/C8H8N2/c1-6-5-10-8-7(6)3-2-4-9-8/h2-5,7H,1H3
InChIKeyGIRMJPWXZKOHIU-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.56
Rot. Bonds

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

3-methyl-3aH-pyrrolo[2,3-b]pyridine (PubChem CID 153359244) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 3-methyl-3aH-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-methyl-3aH-pyrrolo[2,3-b]pyridine
PubChem CID153359244
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name3-methyl-3aH-pyrrolo[2,3-b]pyridine
SMILESCC1=CN=C2N=CC=CC12
InChIInChI=1S/C8H8N2/c1-6-5-10-8-7(6)3-2-4-9-8/h2-5,7H,1H3
InChIKeyGIRMJPWXZKOHIU-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine
CID 134242605
5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine
CID 138532994
3-Methyl-4-methylidenepyrrolo[2,3-b]pyridine
CID 140956214
3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine
CID 142387758
3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine
CID 142505490
5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine
CID 143716589
3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine
CID 146517779
4H-pyrrolo[2,3-b]pyridine
CID 152749055
ethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine
CID 153359253
4-Methyl-2,4a-dihydro-1,8-naphthyridine
CID 153359267
3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine
CID 155280674
N-[(E)-2,3-dimethylbut-1-enyl]-3-methylidenepyridin-2-imine
CID 155309103

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3aH-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-methyl-3aH-pyrrolo[2,3-b]pyridine (CID 153359244) is 3-methyl-3aH-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-methyl-3aH-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-methyl-3aH-pyrrolo[2,3-b]pyridine is CC1=CN=C2N=CC=CC12.
What is the InChIKey of 3-methyl-3aH-pyrrolo[2,3-b]pyridine?
The InChIKey is GIRMJPWXZKOHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-6-5-10-8-7(6)3-2-4-9-8/h2-5,7H,1H3.
What are the key properties of 3-methyl-3aH-pyrrolo[2,3-b]pyridine?
3-methyl-3aH-pyrrolo[2,3-b]pyridine has a molecular weight of 132.17 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3aH-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 153359244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).