3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile

C14H11ClN2 — CID 4123225

IUPAC3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CCc1cccc(Cl)c1
InChIInChI=1S/C14H11ClN2/c15-13-5-1-3-11(9-13)6-7-12-4-2-8-17-14(12)10-16/h1-5,8-9H,6-7H2
InChIKeyJPCGKKFEDUHGDF-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.39
Rot. Bonds3

About 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile

3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile (PubChem CID 4123225) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile
PubChem CID4123225
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CCc1cccc(Cl)c1
InChIInChI=1S/C14H11ClN2/c15-13-5-1-3-11(9-13)6-7-12-4-2-8-17-14(12)10-16/h1-5,8-9H,6-7H2
InChIKeyJPCGKKFEDUHGDF-UHFFFAOYSA-N
XLogP3.39
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile (CID 4123225) is 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile is N#Cc1ncccc1CCc1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile?
The InChIKey is JPCGKKFEDUHGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-13-5-1-3-11(9-13)6-7-12-4-2-8-17-14(12)10-16/h1-5,8-9H,6-7H2.
What are the key properties of 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile?
3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile has a molecular weight of 242.71 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 4123225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).