(2-amino-6-chloro-4-pyridinyl)-piperidin-1-ylmethanone

C11H14ClN3O — CID 51129230

IUPAC(2-amino-6-chloro-4-pyridinyl)-piperidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCCC2)cc(Cl)n1
InChIInChI=1S/C11H14ClN3O/c12-9-6-8(7-10(13)14-9)11(16)15-4-2-1-3-5-15/h6-7H,1-5H2,(H2,13,14)
InChIKeyDRKMCFZVNSUGBH-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.94
Rot. Bonds1

About (2-amino-6-chloro-4-pyridinyl)-piperidin-1-ylmethanone

(2-amino-6-chloro-4-pyridinyl)-piperidin-1-ylmethanone (PubChem CID 51129230) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is (2-amino-6-chloro-4-pyridinyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-6-chloro-4-pyridinyl)-piperidin-1-ylmethanone
PubChem CID51129230
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name(2-amino-6-chloro-4-pyridinyl)-piperidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCCC2)cc(Cl)n1
InChIInChI=1S/C11H14ClN3O/c12-9-6-8(7-10(13)14-9)11(16)15-4-2-1-3-5-15/h6-7H,1-5H2,(H2,13,14)
InChIKeyDRKMCFZVNSUGBH-UHFFFAOYSA-N
XLogP1.94
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.94
H-Bond Donors ≤ 51
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-amino-6-chloro-4-pyridinyl)-piperidin-1-ylmethanone?
The IUPAC name of (2-amino-6-chloro-4-pyridinyl)-piperidin-1-ylmethanone (CID 51129230) is (2-amino-6-chloro-4-pyridinyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-amino-6-chloro-4-pyridinyl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-amino-6-chloro-4-pyridinyl)-piperidin-1-ylmethanone is Nc1cc(C(=O)N2CCCCC2)cc(Cl)n1.
What is the InChIKey of (2-amino-6-chloro-4-pyridinyl)-piperidin-1-ylmethanone?
The InChIKey is DRKMCFZVNSUGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-9-6-8(7-10(13)14-9)11(16)15-4-2-1-3-5-15/h6-7H,1-5H2,(H2,13,14).
What are the key properties of (2-amino-6-chloro-4-pyridinyl)-piperidin-1-ylmethanone?
(2-amino-6-chloro-4-pyridinyl)-piperidin-1-ylmethanone has a molecular weight of 239.71 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chloro-4-pyridinyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 51129230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).