1,3,5-triethylpyrrolo[3,2-b]pyridine

C13H18N2 — CID 174196435

IUPAC1,3,5-triethylpyrrolo[3,2-b]pyridine
SMILESCCc1ccc2c(n1)c(CC)cn2CC
InChIInChI=1S/C13H18N2/c1-4-10-9-15(6-3)12-8-7-11(5-2)14-13(10)12/h7-9H,4-6H2,1-3H3
InChIKeyUJLSSRJKOQKEHU-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.18
Rot. Bonds3

About 1,3,5-triethylpyrrolo[3,2-b]pyridine

1,3,5-triethylpyrrolo[3,2-b]pyridine (PubChem CID 174196435) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1,3,5-triethylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1,3,5-triethylpyrrolo[3,2-b]pyridine
PubChem CID174196435
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1,3,5-triethylpyrrolo[3,2-b]pyridine
SMILESCCc1ccc2c(n1)c(CC)cn2CC
InChIInChI=1S/C13H18N2/c1-4-10-9-15(6-3)12-8-7-11(5-2)14-13(10)12/h7-9H,4-6H2,1-3H3
InChIKeyUJLSSRJKOQKEHU-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triethylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1,3,5-triethylpyrrolo[3,2-b]pyridine (CID 174196435) is 1,3,5-triethylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1,3,5-triethylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1,3,5-triethylpyrrolo[3,2-b]pyridine is CCc1ccc2c(n1)c(CC)cn2CC.
What is the InChIKey of 1,3,5-triethylpyrrolo[3,2-b]pyridine?
The InChIKey is UJLSSRJKOQKEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-10-9-15(6-3)12-8-7-11(5-2)14-13(10)12/h7-9H,4-6H2,1-3H3.
What are the key properties of 1,3,5-triethylpyrrolo[3,2-b]pyridine?
1,3,5-triethylpyrrolo[3,2-b]pyridine has a molecular weight of 202.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triethylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 174196435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).