2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile

C17H17ClN2 — CID 23047304

IUPAC2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile
SMILESCCCC(C#N)(Cc1cccnc1)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2/c1-2-9-17(13-19,11-14-6-5-10-20-12-14)15-7-3-4-8-16(15)18/h3-8,10,12H,2,9,11H2,1H3
InChIKeyYRAVOWPWUFHQCK-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.54
Rot. Bonds5

About 2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile

2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile (PubChem CID 23047304) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile
PubChem CID23047304
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile
SMILESCCCC(C#N)(Cc1cccnc1)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2/c1-2-9-17(13-19,11-14-6-5-10-20-12-14)15-7-3-4-8-16(15)18/h3-8,10,12H,2,9,11H2,1H3
InChIKeyYRAVOWPWUFHQCK-UHFFFAOYSA-N
XLogP4.54
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(2-cyano-1-pyridin-3-ylnonan-2-yl)benzonitrile
CID 23047331
2-propyl-2-pyridin-3-ylpentanenitrile
CID 80522522
2-(2,4-dichlorophenyl)-4-phenyl-2-(pyridin-3-ylmethyl)hexanenitrile
CID 23047293
2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile
CID 82078667
2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile
CID 13316570
2-fluoro-2-(pyridin-3-ylmethyl)pentan-1-amine
CID 104737462
2-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile
CID 117048447
2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile
CID 63540906
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
ethane;ethylbenzene;3-ethylpyridine
CID 145171299
2-phenyl-2-propylpentanenitrile
CID 12754193
2-[2-(4-chlorothiophen-2-yl)oxyethyl]-2-pyridin-3-ylpentanenitrile
CID 67857251

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile?
The IUPAC name of 2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile (CID 23047304) is 2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile?
The canonical SMILES for 2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile is CCCC(C#N)(Cc1cccnc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile?
The InChIKey is YRAVOWPWUFHQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-2-9-17(13-19,11-14-6-5-10-20-12-14)15-7-3-4-8-16(15)18/h3-8,10,12H,2,9,11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile?
2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile has a molecular weight of 284.79 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile is sourced from PubChem (CID 23047304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).