2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile

C19H19N3 — CID 67152507

IUPAC2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile
SMILESCCc1cccc(CC)c1-c1cc2c(CC#N)c[nH]c2cn1
InChIInChI=1S/C19H19N3/c1-3-13-6-5-7-14(4-2)19(13)17-10-16-15(8-9-20)11-21-18(16)12-22-17/h5-7,10-12,21H,3-4,8H2,1-2H3
InChIKeySANVWDSYNKHQHS-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.42
Rot. Bonds4

About 2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile

2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile (PubChem CID 67152507) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile
PubChem CID67152507
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile
SMILESCCc1cccc(CC)c1-c1cc2c(CC#N)c[nH]c2cn1
InChIInChI=1S/C19H19N3/c1-3-13-6-5-7-14(4-2)19(13)17-10-16-15(8-9-20)11-21-18(16)12-22-17/h5-7,10-12,21H,3-4,8H2,1-2H3
InChIKeySANVWDSYNKHQHS-UHFFFAOYSA-N
XLogP4.42
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methanol
CID 66994306
2-(5-acetyl-1H-indol-3-yl)acetonitrile
CID 119094542
ethyl 2-[[3-(cyanomethyl)-1H-indol-5-yl]amino]pyrimidine-5-carboxylate
CID 166366025
N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide
CID 12803112
ethane;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
CID 91517846
2-(4-bromo-1H-indol-3-yl)acetonitrile
CID 11020839
1-[3-(cyanomethyl)-1H-indol-5-yl]-N-methylpropane-1-sulfonamide
CID 67906300
3-[3-(cyanomethyl)-1H-indol-5-yl]-1,1-dimethylurea
CID 70396619
ethyl N-[[3-(cyanomethyl)-1H-indol-5-yl]methyl]carbamate
CID 131715970
[6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol
CID 66994585
2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094350
2-[5-(3-propan-2-ylsulfonylpropoxy)-1H-indol-3-yl]acetonitrile
CID 154784244

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile (CID 67152507) is 2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile is CCc1cccc(CC)c1-c1cc2c(CC#N)c[nH]c2cn1.
What is the InChIKey of 2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile?
The InChIKey is SANVWDSYNKHQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-3-13-6-5-7-14(4-2)19(13)17-10-16-15(8-9-20)11-21-18(16)12-22-17/h5-7,10-12,21H,3-4,8H2,1-2H3.
What are the key properties of 2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile?
2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile has a molecular weight of 289.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-diethylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 67152507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).