1H-pyrrolo[2,3-b]pyridine

C7H6N2 — CID 9222

IUPAC1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]ccc2c1
InChIInChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)
InChIKeyMVXVYAKCVDQRLW-UHFFFAOYSA-N
MW118.14 g/mol
LogP1.56
Rot. Bonds

About 1H-pyrrolo[2,3-b]pyridine

1H-pyrrolo[2,3-b]pyridine (PubChem CID 9222) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1H-pyrrolo[2,3-b]pyridine
PubChem CID9222
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]ccc2c1
InChIInChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)
InChIKeyMVXVYAKCVDQRLW-UHFFFAOYSA-N
XLogP1.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1H-pyrrolo[2,3-b]pyridine (CID 9222) is 1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1H-pyrrolo[2,3-b]pyridine is c1cnc2[nH]ccc2c1.
What is the InChIKey of 1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MVXVYAKCVDQRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9).
What are the key properties of 1H-pyrrolo[2,3-b]pyridine?
1H-pyrrolo[2,3-b]pyridine has a molecular weight of 118.14 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 9222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).