3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane

C11H14N2 — CID 169176717

IUPAC3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
SMILESc1ccc(N2CCC3CC3C2)nc1
InChIInChI=1S/C11H14N2/c1-2-5-12-11(3-1)13-6-4-9-7-10(9)8-13/h1-3,5,9-10H,4,6-8H2
InChIKeyTVAYLIZZNFTQFK-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.93
Rot. Bonds1

About 3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane

3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane (PubChem CID 169176717) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
PubChem CID169176717
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
SMILESc1ccc(N2CCC3CC3C2)nc1
InChIInChI=1S/C11H14N2/c1-2-5-12-11(3-1)13-6-4-9-7-10(9)8-13/h1-3,5,9-10H,4,6-8H2
InChIKeyTVAYLIZZNFTQFK-UHFFFAOYSA-N
XLogP1.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643959
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
2-(4-bromo-3-methylpiperidin-1-yl)pyridine
CID 114682742
2-cyclopropyl-5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185571
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide
CID 134430978
sodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide
CID 145004696
O-(1-pyridin-2-ylpiperidin-4-yl)hydroxylamine
CID 129267399
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
CID 117045417
2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
CID 66880578
[2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine
CID 117045416

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane (CID 169176717) is 3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane is c1ccc(N2CCC3CC3C2)nc1.
What is the InChIKey of 3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane?
The InChIKey is TVAYLIZZNFTQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-5-12-11(3-1)13-6-4-9-7-10(9)8-13/h1-3,5,9-10H,4,6-8H2.
What are the key properties of 3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane?
3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane has a molecular weight of 174.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 169176717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).