6-benzylpyrrolo[3,4-b]pyridine

C14H12N2 — CID 71773530

IUPAC6-benzylpyrrolo[3,4-b]pyridine
SMILESc1ccc(Cn2cc3cccnc3c2)cc1
InChIInChI=1S/C14H12N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-8,10-11H,9H2
InChIKeyNKCPBSVVLUKBQD-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.08
Rot. Bonds2

About 6-benzylpyrrolo[3,4-b]pyridine

6-benzylpyrrolo[3,4-b]pyridine (PubChem CID 71773530) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-benzylpyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-benzylpyrrolo[3,4-b]pyridine
PubChem CID71773530
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name6-benzylpyrrolo[3,4-b]pyridine
SMILESc1ccc(Cn2cc3cccnc3c2)cc1
InChIInChI=1S/C14H12N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-8,10-11H,9H2
InChIKeyNKCPBSVVLUKBQD-UHFFFAOYSA-N
XLogP3.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzylpyrrolo[3,4-b]pyridine?
The IUPAC name of 6-benzylpyrrolo[3,4-b]pyridine (CID 71773530) is 6-benzylpyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-benzylpyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-benzylpyrrolo[3,4-b]pyridine is c1ccc(Cn2cc3cccnc3c2)cc1.
What is the InChIKey of 6-benzylpyrrolo[3,4-b]pyridine?
The InChIKey is NKCPBSVVLUKBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-8,10-11H,9H2.
What are the key properties of 6-benzylpyrrolo[3,4-b]pyridine?
6-benzylpyrrolo[3,4-b]pyridine has a molecular weight of 208.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylpyrrolo[3,4-b]pyridine is sourced from PubChem (CID 71773530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).