3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol

C14H12N2O — CID 135505751

IUPAC3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESOc1[nH]c2cnccc2c1Cc1ccccc1
InChIInChI=1S/C14H12N2O/c17-14-12(8-10-4-2-1-3-5-10)11-6-7-15-9-13(11)16-14/h1-7,9,16-17H,8H2
InChIKeyJQWADQPESIGHIK-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.86
Rot. Bonds2

About 3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol

3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol (PubChem CID 135505751) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

Compound Name3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol
PubChem CID135505751
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESOc1[nH]c2cnccc2c1Cc1ccccc1
InChIInChI=1S/C14H12N2O/c17-14-12(8-10-4-2-1-3-5-10)11-6-7-15-9-13(11)16-14/h1-7,9,16-17H,8H2
InChIKeyJQWADQPESIGHIK-UHFFFAOYSA-N
XLogP2.86
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol?
The IUPAC name of 3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol (CID 135505751) is 3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol.
What is the SMILES notation for 3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol?
The canonical SMILES for 3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol is Oc1[nH]c2cnccc2c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol?
The InChIKey is JQWADQPESIGHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14-12(8-10-4-2-1-3-5-10)11-6-7-15-9-13(11)16-14/h1-7,9,16-17H,8H2.
What are the key properties of 3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol?
3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol has a molecular weight of 224.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1H-pyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 135505751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).