2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile

C11H11ClN2 — CID 86716184

IUPAC2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile
SMILESN#CC(CC1CC1)c1ccc(Cl)nc1
InChIInChI=1S/C11H11ClN2/c12-11-4-3-9(7-14-11)10(6-13)5-8-1-2-8/h3-4,7-8,10H,1-2,5H2
InChIKeyVKDADIIFUWEJHW-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.14
Rot. Bonds3

About 2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile

2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile (PubChem CID 86716184) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile
PubChem CID86716184
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile
SMILESN#CC(CC1CC1)c1ccc(Cl)nc1
InChIInChI=1S/C11H11ClN2/c12-11-4-3-9(7-14-11)10(6-13)5-8-1-2-8/h3-4,7-8,10H,1-2,5H2
InChIKeyVKDADIIFUWEJHW-UHFFFAOYSA-N
XLogP3.14
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198793
3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile
CID 86716183
[1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine
CID 105252962
(2R)-2-(6-chloro-3-pyridinyl)propanenitrile
CID 95169683
(6-chloro-3-pyridinyl)-cyclopropylmethanamine
CID 55295463
1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine
CID 171276536
2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile
CID 90219831
(R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314290
N-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine
CID 115728805
2-(3,4-dichlorophenyl)-3-(1,3-dioxol-2-yl)propanenitrile
CID 141005164
5-(1-amino-2-cyclopropylethyl)pyridin-2-amine
CID 55294489
2-chloro-5-pentan-3-ylpyridine
CID 134459618

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile (CID 86716184) is 2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile is N#CC(CC1CC1)c1ccc(Cl)nc1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile?
The InChIKey is VKDADIIFUWEJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c12-11-4-3-9(7-14-11)10(6-13)5-8-1-2-8/h3-4,7-8,10H,1-2,5H2.
What are the key properties of 2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile?
2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile has a molecular weight of 206.68 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile is sourced from PubChem (CID 86716184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).