2,5-dichloro-4-piperidin-3-ylpyridine

C10H12Cl2N2 — CID 84694263

IUPAC2,5-dichloro-4-piperidin-3-ylpyridine
SMILESClc1cc(C2CCCNC2)c(Cl)cn1
InChIInChI=1S/C10H12Cl2N2/c11-9-6-14-10(12)4-8(9)7-2-1-3-13-5-7/h4,6-7,13H,1-3,5H2
InChIKeyDGJYRMSPGCXZPO-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.86
Rot. Bonds1

About 2,5-dichloro-4-piperidin-3-ylpyridine

2,5-dichloro-4-piperidin-3-ylpyridine (PubChem CID 84694263) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 2,5-dichloro-4-piperidin-3-ylpyridine.

Molecular Properties

Compound Name2,5-dichloro-4-piperidin-3-ylpyridine
PubChem CID84694263
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name2,5-dichloro-4-piperidin-3-ylpyridine
SMILESClc1cc(C2CCCNC2)c(Cl)cn1
InChIInChI=1S/C10H12Cl2N2/c11-9-6-14-10(12)4-8(9)7-2-1-3-13-5-7/h4,6-7,13H,1-3,5H2
InChIKeyDGJYRMSPGCXZPO-UHFFFAOYSA-N
XLogP2.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.86
H-Bond Donors ≤ 51
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 2,5-dichloro-4-piperidin-3-ylpyridine?
The IUPAC name of 2,5-dichloro-4-piperidin-3-ylpyridine (CID 84694263) is 2,5-dichloro-4-piperidin-3-ylpyridine.
What is the SMILES notation for 2,5-dichloro-4-piperidin-3-ylpyridine?
The canonical SMILES for 2,5-dichloro-4-piperidin-3-ylpyridine is Clc1cc(C2CCCNC2)c(Cl)cn1.
What is the InChIKey of 2,5-dichloro-4-piperidin-3-ylpyridine?
The InChIKey is DGJYRMSPGCXZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c11-9-6-14-10(12)4-8(9)7-2-1-3-13-5-7/h4,6-7,13H,1-3,5H2.
What are the key properties of 2,5-dichloro-4-piperidin-3-ylpyridine?
2,5-dichloro-4-piperidin-3-ylpyridine has a molecular weight of 231.13 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-piperidin-3-ylpyridine is sourced from PubChem (CID 84694263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).