2-methyl-2-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]propanenitrile

C16H14N4 — CID 11998038

IUPAC2-methyl-2-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]propanenitrile
SMILESCC(C)(C#N)c1cccc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C16H14N4/c1-16(2,10-17)14-5-3-4-13(20-14)11-6-8-18-15-12(11)7-9-19-15/h3-9H,1-2H3,(H,18,19)
InChIKeyFHISAROGPSYNME-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.43
Rot. Bonds2

About 2-methyl-2-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]propanenitrile

2-methyl-2-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]propanenitrile (PubChem CID 11998038) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-methyl-2-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]propanenitrile
PubChem CID11998038
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-methyl-2-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]propanenitrile
SMILESCC(C)(C#N)c1cccc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C16H14N4/c1-16(2,10-17)14-5-3-4-13(20-14)11-6-8-18-15-12(11)7-9-19-15/h3-9H,1-2H3,(H,18,19)
InChIKeyFHISAROGPSYNME-UHFFFAOYSA-N
XLogP3.43
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]propanenitrile?
The IUPAC name of 2-methyl-2-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]propanenitrile (CID 11998038) is 2-methyl-2-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]propanenitrile is CC(C)(C#N)c1cccc(-c2ccnc3[nH]ccc23)n1.
What is the InChIKey of 2-methyl-2-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]propanenitrile?
The InChIKey is FHISAROGPSYNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-16(2,10-17)14-5-3-4-13(20-14)11-6-8-18-15-12(11)7-9-19-15/h3-9H,1-2H3,(H,18,19).
What are the key properties of 2-methyl-2-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]propanenitrile?
2-methyl-2-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]propanenitrile has a molecular weight of 262.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]propanenitrile is sourced from PubChem (CID 11998038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).