1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile

C11H11ClN2 — CID 130544132

IUPAC1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile
SMILESN#CC1(c2ccc(Cl)cn2)CCCC1
InChIInChI=1S/C11H11ClN2/c12-9-3-4-10(14-7-9)11(8-13)5-1-2-6-11/h3-4,7H,1-2,5-6H2
InChIKeyJPOUIZQCSFRTKS-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.07
Rot. Bonds1

About 1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile

1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile (PubChem CID 130544132) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile
PubChem CID130544132
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile
SMILESN#CC1(c2ccc(Cl)cn2)CCCC1
InChIInChI=1S/C11H11ClN2/c12-9-3-4-10(14-7-9)11(8-13)5-1-2-6-11/h3-4,7H,1-2,5-6H2
InChIKeyJPOUIZQCSFRTKS-UHFFFAOYSA-N
XLogP3.07
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloro-5-(1-methyl-2-pyrrolidinyl)pyridine
CID 10262111
2-(4'-Chlorobenzyl)pyridine
CID 78054
alpha-(4-Chlorophenyl)-2-pyridineacetonitrile
CID 99025
2-(P-Chlorostyryl)pyridine
CID 219326
3-(2-(3-Chlorophenyl)ethyl)-2-pyridinecarbonitrile
CID 4123225
2-(4-Chlorophenyl)-2-(5-(trifluoromethyl)pyridin-2-yl)acetonitrile (20)
CID 56604850
2-(5-Fluoropyridin-2-yl)hexanenitrile (50)
CID 56840723
2-(4-Chloro-2-fluorophenyl)-2-(5-(trifluoromethyl)-pyridin-2-yl)acetonitrile (31)
CID 77014339
2-(4-Chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 2773827
2-(6-Chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 44304627
3-(6-Chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 44304805
3-(2-(Pyridin-2-yl)ethynyl)-5-chlorobenzonitrile
CID 54585282

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile (CID 130544132) is 1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile is N#CC1(c2ccc(Cl)cn2)CCCC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile?
The InChIKey is JPOUIZQCSFRTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c12-9-3-4-10(14-7-9)11(8-13)5-1-2-6-11/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile?
1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile has a molecular weight of 206.68 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 130544132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).