4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine

C11H9N3 — CID 118078364

IUPAC4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccn(-c2ccnc3[nH]ccc23)c1
InChIInChI=1S/C11H9N3/c1-2-8-14(7-1)10-4-6-13-11-9(10)3-5-12-11/h1-8H,(H,12,13)
InChIKeyDKIGTQZEHGCFKE-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.35
Rot. Bonds1

About 4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine

4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118078364) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID118078364
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccn(-c2ccnc3[nH]ccc23)c1
InChIInChI=1S/C11H9N3/c1-2-8-14(7-1)10-4-6-13-11-9(10)3-5-12-11/h1-8H,(H,12,13)
InChIKeyDKIGTQZEHGCFKE-UHFFFAOYSA-N
XLogP2.35
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine (CID 118078364) is 4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine is c1ccn(-c2ccnc3[nH]ccc23)c1.
What is the InChIKey of 4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DKIGTQZEHGCFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-8-14(7-1)10-4-6-13-11-9(10)3-5-12-11/h1-8H,(H,12,13).
What are the key properties of 4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine?
4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 183.21 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118078364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).