(5S)-5-methyl-5H-pyrrolo[2,3-b]pyridine

C8H8N2 — CID 86330146

IUPAC(5S)-5-methyl-5H-pyrrolo[2,3-b]pyridine
SMILESC[C@@H]1C=NC2=NC=CC2=C1
InChIInChI=1S/C8H8N2/c1-6-4-7-2-3-9-8(7)10-5-6/h2-6H,1H3/t6-/m0/s1
InChIKeyQXIOKSWAUSLRPS-LURJTMIESA-N
MW132.17 g/mol
LogP1.56
Rot. Bonds

About (5S)-5-methyl-5H-pyrrolo[2,3-b]pyridine

(5S)-5-methyl-5H-pyrrolo[2,3-b]pyridine (PubChem CID 86330146) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is (5S)-5-methyl-5H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name(5S)-5-methyl-5H-pyrrolo[2,3-b]pyridine
PubChem CID86330146
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name(5S)-5-methyl-5H-pyrrolo[2,3-b]pyridine
SMILESC[C@@H]1C=NC2=NC=CC2=C1
InChIInChI=1S/C8H8N2/c1-6-4-7-2-3-9-8(7)10-5-6/h2-6H,1H3/t6-/m0/s1
InChIKeyQXIOKSWAUSLRPS-LURJTMIESA-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

2H-Pyrrolo[2,3-B]pyridine
CID 56972323
6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium
CID 57589463
3aH-pyrrolo[2,3-b]pyridine
CID 58286487
N-(4-methyl-3H-pyridin-3-id-2-yl)propan-1-imine;tungsten(2+)
CID 59659044
(3Z)-3-ethylidene-N-methylpyridin-2-imine
CID 68010675
(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
CID 70306674
6,6-Dimethylpyrimido[4,5-b]azepine
CID 70324931
1-Methyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 89012886
6-methyl-6H-cyclohepta[d]pyrimidine
CID 89129896
3-Methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium
CID 90857939
ethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane
CID 91509327
(4E,5E)-4-ethylidene-5-prop-2-enylidenepyrimidine
CID 117650593

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5H-pyrrolo[2,3-b]pyridine?
The IUPAC name of (5S)-5-methyl-5H-pyrrolo[2,3-b]pyridine (CID 86330146) is (5S)-5-methyl-5H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for (5S)-5-methyl-5H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for (5S)-5-methyl-5H-pyrrolo[2,3-b]pyridine is C[C@@H]1C=NC2=NC=CC2=C1.
What is the InChIKey of (5S)-5-methyl-5H-pyrrolo[2,3-b]pyridine?
The InChIKey is QXIOKSWAUSLRPS-LURJTMIESA-N. The full InChI is InChI=1S/C8H8N2/c1-6-4-7-2-3-9-8(7)10-5-6/h2-6H,1H3/t6-/m0/s1.
What are the key properties of (5S)-5-methyl-5H-pyrrolo[2,3-b]pyridine?
(5S)-5-methyl-5H-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 (5S)-5-methyl-5H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 86330146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).