1-benzylpyrrolo[3,2-b]pyridine

C14H12N2 — CID 45267314

IUPAC1-benzylpyrrolo[3,2-b]pyridine
SMILESc1ccc(Cn2ccc3ncccc32)cc1
InChIInChI=1S/C14H12N2/c1-2-5-12(6-3-1)11-16-10-8-13-14(16)7-4-9-15-13/h1-10H,11H2
InChIKeyLOGFFHFLSCMKJF-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.08
Rot. Bonds2

About 1-benzylpyrrolo[3,2-b]pyridine

1-benzylpyrrolo[3,2-b]pyridine (PubChem CID 45267314) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-benzylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-benzylpyrrolo[3,2-b]pyridine
PubChem CID45267314
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name1-benzylpyrrolo[3,2-b]pyridine
SMILESc1ccc(Cn2ccc3ncccc32)cc1
InChIInChI=1S/C14H12N2/c1-2-5-12(6-3-1)11-16-10-8-13-14(16)7-4-9-15-13/h1-10H,11H2
InChIKeyLOGFFHFLSCMKJF-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 1-benzylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-benzylpyrrolo[3,2-b]pyridine (CID 45267314) is 1-benzylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-benzylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-benzylpyrrolo[3,2-b]pyridine is c1ccc(Cn2ccc3ncccc32)cc1.
What is the InChIKey of 1-benzylpyrrolo[3,2-b]pyridine?
The InChIKey is LOGFFHFLSCMKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-5-12(6-3-1)11-16-10-8-13-14(16)7-4-9-15-13/h1-10H,11H2.
What are the key properties of 1-benzylpyrrolo[3,2-b]pyridine?
1-benzylpyrrolo[3,2-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 1-benzylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 45267314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).