4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile

C15H11N3 — CID 178051646

IUPAC4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile
SMILESCc1ccc(C#N)cc1-n1ccc2cnccc21
InChIInChI=1S/C15H11N3/c1-11-2-3-12(9-16)8-15(11)18-7-5-13-10-17-6-4-14(13)18/h2-8,10H,1H3
InChIKeyZESMGDRKUAOKQK-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.21
Rot. Bonds1

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

4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile (PubChem CID 178051646) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile.

Molecular Properties

Compound Name4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile
PubChem CID178051646
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile
SMILESCc1ccc(C#N)cc1-n1ccc2cnccc21
InChIInChI=1S/C15H11N3/c1-11-2-3-12(9-16)8-15(11)18-7-5-13-10-17-6-4-14(13)18/h2-8,10H,1H3
InChIKeyZESMGDRKUAOKQK-UHFFFAOYSA-N
XLogP3.21
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile?
The IUPAC name of 4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile (CID 178051646) is 4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile.
What is the SMILES notation for 4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile?
The canonical SMILES for 4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile is Cc1ccc(C#N)cc1-n1ccc2cnccc21.
What is the InChIKey of 4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile?
The InChIKey is ZESMGDRKUAOKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-11-2-3-12(9-16)8-15(11)18-7-5-13-10-17-6-4-14(13)18/h2-8,10H,1H3.
What are the key properties of 4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile?
4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile has a molecular weight of 233.27 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile is sourced from PubChem (CID 178051646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).