4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile

C21H15N3 — CID 166828277

IUPAC4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCc1ccc(-c2ncc3[nH]ccc3c2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H15N3/c1-14-2-6-17(7-3-14)21-20(16-8-4-15(12-22)5-9-16)18-10-11-23-19(18)13-24-21/h2-11,13,23H,1H3
InChIKeyIPQVNHSWAQUOIM-UHFFFAOYSA-N
MW309.37 g/mol
LogP5.08
Rot. Bonds2

About 4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile

4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile (PubChem CID 166828277) has the molecular formula C21H15N3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
PubChem CID166828277
Molecular FormulaC21H15N3
Molecular Weight309.37 g/mol
Exact Mass309.13
IUPAC Name4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCc1ccc(-c2ncc3[nH]ccc3c2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H15N3/c1-14-2-6-17(7-3-14)21-20(16-8-4-15(12-22)5-9-16)18-10-11-23-19(18)13-24-21/h2-11,13,23H,1H3
InChIKeyIPQVNHSWAQUOIM-UHFFFAOYSA-N
XLogP5.08
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.37
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methyl-1H-indol-3-yl)benzonitrile
CID 39231480
4-[5-(4-ethoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 170387770
4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 142474977
4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide
CID 170387742
ethanol;4-[2,3,4,5,6-pentakis(4-cyanophenyl)phenyl]benzonitrile
CID 139144298
4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile
CID 68627082
4-(2-phenyl-1H-indol-3-yl)benzonitrile
CID 12065987
4-[1-(cyclohexylmethyl)-5-(6-methyl-3-pyridinyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 163714160
4-[4-[(4-methylphenoxy)methoxy]phenyl]benzonitrile
CID 129203224
4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide
CID 156843133
4-[5-(4-methylsulfinylphenyl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 142474947
4-[5-(4-methylphenyl)-7-(pyrrolidin-3-ylmethyl)-1H-pyrazolo[4,5-b]pyridin-6-yl]benzonitrile
CID 118917239

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The IUPAC name of 4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile (CID 166828277) is 4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile.
What is the SMILES notation for 4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The canonical SMILES for 4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile is Cc1ccc(-c2ncc3[nH]ccc3c2-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The InChIKey is IPQVNHSWAQUOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3/c1-14-2-6-17(7-3-14)21-20(16-8-4-15(12-22)5-9-16)18-10-11-23-19(18)13-24-21/h2-11,13,23H,1H3.
What are the key properties of 4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile has a molecular weight of 309.37 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 166828277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).