2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine

C12H17ClN2 — CID 171542387

IUPAC2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine
SMILESCc1cc(Cl)nc(C2CCN(C)CC2)c1
InChIInChI=1S/C12H17ClN2/c1-9-7-11(14-12(13)8-9)10-3-5-15(2)6-4-10/h7-8,10H,3-6H2,1-2H3
InChIKeyZWOALTHPBDOVPF-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.85
Rot. Bonds1

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

2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine (PubChem CID 171542387) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine
PubChem CID171542387
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine
SMILESCc1cc(Cl)nc(C2CCN(C)CC2)c1
InChIInChI=1S/C12H17ClN2/c1-9-7-11(14-12(13)8-9)10-3-5-15(2)6-4-10/h7-8,10H,3-6H2,1-2H3
InChIKeyZWOALTHPBDOVPF-UHFFFAOYSA-N
XLogP2.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine?
The IUPAC name of 2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine (CID 171542387) is 2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine.
What is the SMILES notation for 2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine?
The canonical SMILES for 2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine is Cc1cc(Cl)nc(C2CCN(C)CC2)c1.
What is the InChIKey of 2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine?
The InChIKey is ZWOALTHPBDOVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-7-11(14-12(13)8-9)10-3-5-15(2)6-4-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine?
2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine has a molecular weight of 224.73 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-(1-methylpiperidin-4-yl)pyridine is sourced from PubChem (CID 171542387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).