6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane

C11H14N2 — CID 146155860

IUPAC6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane
SMILESc1cncc(C23CCNCC2C3)c1
InChIInChI=1S/C11H14N2/c1-2-9(7-12-4-1)11-3-5-13-8-10(11)6-11/h1-2,4,7,10,13H,3,5-6,8H2
InChIKeyUESQVLMSRRRBQA-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.33
Rot. Bonds1

About 6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane

6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane (PubChem CID 146155860) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane
PubChem CID146155860
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane
SMILESc1cncc(C23CCNCC2C3)c1
InChIInChI=1S/C11H14N2/c1-2-9(7-12-4-1)11-3-5-13-8-10(11)6-11/h1-2,4,7,10,13H,3,5-6,8H2
InChIKeyUESQVLMSRRRBQA-UHFFFAOYSA-N
XLogP1.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-pyrrolidin-3-ylcyclopentyl)pyridine
CID 83910049
(1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 153321398
6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane
CID 175861742
6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane
CID 166003209
6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane
CID 170565082
(4-pyridin-3-ylpiperidin-4-yl)methanamine
CID 80522475
(4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 101385535
3-(1-pyrrolidin-2-ylcyclohexyl)pyridine
CID 83911588
3-pyrrolidin-3-ylpyridine
CID 3613651
3-(3-fluoroazetidin-3-yl)pyridine
CID 112563486
3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine
CID 83910690
3-[1-(3-bromophenyl)cyclopropyl]pyrrolidine
CID 83913423

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane (CID 146155860) is 6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane is c1cncc(C23CCNCC2C3)c1.
What is the InChIKey of 6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane?
The InChIKey is UESQVLMSRRRBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-9(7-12-4-1)11-3-5-13-8-10(11)6-11/h1-2,4,7,10,13H,3,5-6,8H2.
What are the key properties of 6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane?
6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane has a molecular weight of 174.25 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 146155860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).