4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile

C14H9N3 — CID 53302005

IUPAC4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile
SMILESN#Cc1ccc(-n2ccc3cccnc32)cc1
InChIInChI=1S/C14H9N3/c15-10-11-3-5-13(6-4-11)17-9-7-12-2-1-8-16-14(12)17/h1-9H
InChIKeyPINRRCFXMRVJBZ-UHFFFAOYSA-N
MW219.25 g/mol
LogP2.90
Rot. Bonds1

About 4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile

4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile (PubChem CID 53302005) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile.

Molecular Properties

Compound Name4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile
PubChem CID53302005
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile
SMILESN#Cc1ccc(-n2ccc3cccnc32)cc1
InChIInChI=1S/C14H9N3/c15-10-11-3-5-13(6-4-11)17-9-7-12-2-1-8-16-14(12)17/h1-9H
InChIKeyPINRRCFXMRVJBZ-UHFFFAOYSA-N
XLogP2.90
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile?
The IUPAC name of 4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile (CID 53302005) is 4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile.
What is the SMILES notation for 4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile?
The canonical SMILES for 4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile is N#Cc1ccc(-n2ccc3cccnc32)cc1.
What is the InChIKey of 4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile?
The InChIKey is PINRRCFXMRVJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c15-10-11-3-5-13(6-4-11)17-9-7-12-2-1-8-16-14(12)17/h1-9H.
What are the key properties of 4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile?
4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile has a molecular weight of 219.25 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile is sourced from PubChem (CID 53302005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).