2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile

C12H14ClN3 — CID 115041246

IUPAC2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
SMILESCN1CCC(c2ccc(C#N)c(Cl)n2)CC1
InChIInChI=1S/C12H14ClN3/c1-16-6-4-9(5-7-16)11-3-2-10(8-14)12(13)15-11/h2-3,9H,4-7H2,1H3
InChIKeyAODWJRHUGLYDTD-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.42
Rot. Bonds1

About 2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile

2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile (PubChem CID 115041246) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
PubChem CID115041246
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
SMILESCN1CCC(c2ccc(C#N)c(Cl)n2)CC1
InChIInChI=1S/C12H14ClN3/c1-16-6-4-9(5-7-16)11-3-2-10(8-14)12(13)15-11/h2-3,9H,4-7H2,1H3
InChIKeyAODWJRHUGLYDTD-UHFFFAOYSA-N
XLogP2.42
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile (CID 115041246) is 2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile is CN1CCC(c2ccc(C#N)c(Cl)n2)CC1.
What is the InChIKey of 2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile?
The InChIKey is AODWJRHUGLYDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-16-6-4-9(5-7-16)11-3-2-10(8-14)12(13)15-11/h2-3,9H,4-7H2,1H3.
What are the key properties of 2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile?
2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile has a molecular weight of 235.72 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 115041246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).