2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine

C11H13N — CID 163800991

IUPAC2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine
SMILESCC12CC(c3ccccn3)(C1)C2
InChIInChI=1S/C11H13N/c1-10-6-11(7-10,8-10)9-4-2-3-5-12-9/h2-5H,6-8H2,1H3
InChIKeyQSNQYEZZGAMDBU-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.52
Rot. Bonds1

About 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine

2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine (PubChem CID 163800991) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine.

Molecular Properties

Compound Name2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine
PubChem CID163800991
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine
SMILESCC12CC(c3ccccn3)(C1)C2
InChIInChI=1S/C11H13N/c1-10-6-11(7-10,8-10)9-4-2-3-5-12-9/h2-5H,6-8H2,1H3
InChIKeyQSNQYEZZGAMDBU-UHFFFAOYSA-N
XLogP2.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine?
The IUPAC name of 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine (CID 163800991) is 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine.
What is the SMILES notation for 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine?
The canonical SMILES for 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine is CC12CC(c3ccccn3)(C1)C2.
What is the InChIKey of 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine?
The InChIKey is QSNQYEZZGAMDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-10-6-11(7-10,8-10)9-4-2-3-5-12-9/h2-5H,6-8H2,1H3.
What are the key properties of 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine?
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine has a molecular weight of 159.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine is sourced from PubChem (CID 163800991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).