3H-pyrrolo[3,2-b]pyridin-7-ylmethanol

C8H8N2O — CID 167647436

IUPAC3H-pyrrolo[3,2-b]pyridin-7-ylmethanol
SMILESOCc1ccnc2c1N=CC2
InChIInChI=1S/C8H8N2O/c11-5-6-1-3-9-7-2-4-10-8(6)7/h1,3-4,11H,2,5H2
InChIKeyQBVCPQKXVXTNIX-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.83
Rot. Bonds1

About 3H-pyrrolo[3,2-b]pyridin-7-ylmethanol

3H-pyrrolo[3,2-b]pyridin-7-ylmethanol (PubChem CID 167647436) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 3H-pyrrolo[3,2-b]pyridin-7-ylmethanol.

Molecular Properties

Compound Name3H-pyrrolo[3,2-b]pyridin-7-ylmethanol
PubChem CID167647436
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name3H-pyrrolo[3,2-b]pyridin-7-ylmethanol
SMILESOCc1ccnc2c1N=CC2
InChIInChI=1S/C8H8N2O/c11-5-6-1-3-9-7-2-4-10-8(6)7/h1,3-4,11H,2,5H2
InChIKeyQBVCPQKXVXTNIX-UHFFFAOYSA-N
XLogP0.83
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-pyrrolo[3,2-b]pyridin-7-ylmethanol?
The IUPAC name of 3H-pyrrolo[3,2-b]pyridin-7-ylmethanol (CID 167647436) is 3H-pyrrolo[3,2-b]pyridin-7-ylmethanol.
What is the SMILES notation for 3H-pyrrolo[3,2-b]pyridin-7-ylmethanol?
The canonical SMILES for 3H-pyrrolo[3,2-b]pyridin-7-ylmethanol is OCc1ccnc2c1N=CC2.
What is the InChIKey of 3H-pyrrolo[3,2-b]pyridin-7-ylmethanol?
The InChIKey is QBVCPQKXVXTNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c11-5-6-1-3-9-7-2-4-10-8(6)7/h1,3-4,11H,2,5H2.
What are the key properties of 3H-pyrrolo[3,2-b]pyridin-7-ylmethanol?
3H-pyrrolo[3,2-b]pyridin-7-ylmethanol has a molecular weight of 148.16 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrolo[3,2-b]pyridin-7-ylmethanol is sourced from PubChem (CID 167647436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).