5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile

C13H16ClN3 — CID 613372

IUPAC5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile
SMILESCc1nc(N2CCCCC2)c(C#N)c(C)c1Cl
InChIInChI=1S/C13H16ClN3/c1-9-11(8-15)13(16-10(2)12(9)14)17-6-4-3-5-7-17/h3-7H2,1-2H3
InChIKeyBYUCXVMQXLFZRX-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.21
Rot. Bonds1

About 5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile

5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile (PubChem CID 613372) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile
PubChem CID613372
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile
SMILESCc1nc(N2CCCCC2)c(C#N)c(C)c1Cl
InChIInChI=1S/C13H16ClN3/c1-9-11(8-15)13(16-10(2)12(9)14)17-6-4-3-5-7-17/h3-7H2,1-2H3
InChIKeyBYUCXVMQXLFZRX-UHFFFAOYSA-N
XLogP3.21
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile (CID 613372) is 5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile is Cc1nc(N2CCCCC2)c(C#N)c(C)c1Cl.
What is the InChIKey of 5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile?
The InChIKey is BYUCXVMQXLFZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9-11(8-15)13(16-10(2)12(9)14)17-6-4-3-5-7-17/h3-7H2,1-2H3.
What are the key properties of 5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile?
5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile has a molecular weight of 249.74 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-dimethyl-2-piperidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 613372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).