3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine

C10H12N2 — CID 142387758

IUPAC3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine
SMILESCC(C)C1=c2cccnc2=NC1
InChIInChI=1S/C10H12N2/c1-7(2)9-6-12-10-8(9)4-3-5-11-10/h3-5,7H,6H2,1-2H3
InChIKeyWWLFXYGOOGYLHJ-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.52
Rot. Bonds1

About 3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine

3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine (PubChem CID 142387758) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine
PubChem CID142387758
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine
SMILESCC(C)C1=c2cccnc2=NC1
InChIInChI=1S/C10H12N2/c1-7(2)9-6-12-10-8(9)4-3-5-11-10/h3-5,7H,6H2,1-2H3
InChIKeyWWLFXYGOOGYLHJ-UHFFFAOYSA-N
XLogP0.52
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorocyclohexa-2,4-dien-1-yl)-4H-imidazole
CID 89198240
2H-Pyrrolo[2,3-B]pyridine
CID 56972323
(3Z)-3-ethylidene-N-methylpyridin-2-imine
CID 68010675
(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
CID 70306674
2-Methyl-1,3-diazaspiro[4.5]deca-1,3,6,8-tetraene
CID 89263865
5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine
CID 90045633
6-Methyl-5-methylidene-2,3-dihydropyrrolo[2,3-b]pyridine
CID 90820746
3-Methyl-4-methylidenepyrrolo[2,3-b]pyridine
CID 140956214
N-methyl-3-propan-2-ylidenepyridin-2-imine
CID 142275824
ethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine
CID 142845485
(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine
CID 142845486
ethane;(3Z)-N-ethyl-3-ethylidene-4-methylpyridin-2-imine
CID 143716390

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine (CID 142387758) is 3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine is CC(C)C1=c2cccnc2=NC1.
What is the InChIKey of 3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine?
The InChIKey is WWLFXYGOOGYLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7(2)9-6-12-10-8(9)4-3-5-11-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine?
3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine has a molecular weight of 160.22 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142387758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).