2-(6-chloro-5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane

C11H14ClN3 — CID 10198406

IUPAC2-(6-chloro-5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCc1cc(N2CC3CC2CN3)cnc1Cl
InChIInChI=1S/C11H14ClN3/c1-7-2-9(5-14-11(7)12)15-6-8-3-10(15)4-13-8/h2,5,8,10,13H,3-4,6H2,1H3
InChIKeyFRVGBUBUZLXEJI-UHFFFAOYSA-N
MW223.71 g/mol
LogP1.59
Rot. Bonds1

About 2-(6-chloro-5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane

2-(6-chloro-5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 10198406) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID10198406
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name2-(6-chloro-5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCc1cc(N2CC3CC2CN3)cnc1Cl
InChIInChI=1S/C11H14ClN3/c1-7-2-9(5-14-11(7)12)15-6-8-3-10(15)4-13-8/h2,5,8,10,13H,3-4,6H2,1H3
InChIKeyFRVGBUBUZLXEJI-UHFFFAOYSA-N
XLogP1.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 51.59
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-(6-chloro-5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(6-chloro-5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane (CID 10198406) is 2-(6-chloro-5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(6-chloro-5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(6-chloro-5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane is Cc1cc(N2CC3CC2CN3)cnc1Cl.
What is the InChIKey of 2-(6-chloro-5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is FRVGBUBUZLXEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-7-2-9(5-14-11(7)12)15-6-8-3-10(15)4-13-8/h2,5,8,10,13H,3-4,6H2,1H3.
What are the key properties of 2-(6-chloro-5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane?
2-(6-chloro-5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 223.71 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 10198406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).