3-(azetidin-3-yl)-4-ethynylpyridine

C10H10N2 — CID 74787804

IUPAC3-(azetidin-3-yl)-4-ethynylpyridine
SMILESC#Cc1ccncc1C1CNC1
InChIInChI=1S/C10H10N2/c1-2-8-3-4-11-7-10(8)9-5-12-6-9/h1,3-4,7,9,12H,5-6H2
InChIKeyQMHILFGMJOKSBF-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.75
Rot. Bonds1

About 3-(azetidin-3-yl)-4-ethynylpyridine

3-(azetidin-3-yl)-4-ethynylpyridine (PubChem CID 74787804) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-4-ethynylpyridine.

Molecular Properties

Compound Name3-(azetidin-3-yl)-4-ethynylpyridine
PubChem CID74787804
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name3-(azetidin-3-yl)-4-ethynylpyridine
SMILESC#Cc1ccncc1C1CNC1
InChIInChI=1S/C10H10N2/c1-2-8-3-4-11-7-10(8)9-5-12-6-9/h1,3-4,7,9,12H,5-6H2
InChIKeyQMHILFGMJOKSBF-UHFFFAOYSA-N
XLogP0.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(azetidin-3-yl)-4-ethoxypyridine
CID 130565717
4-pyrrolidin-3-ylpyridine-3-carbonitrile
CID 115014147
4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine
CID 56958698
1-[3-(azetidin-3-yl)-4-pyridinyl]-3-methylimidazolidin-2-one
CID 168981009
(4-ethynyl-3-pyridinyl)methanol
CID 74892542
3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine
CID 89285271
3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine
CID 99905887
1-(4-ethynyl-3-pyridinyl)ethanone
CID 74788219
1,4-dimethyl-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 13143618
3-chloro-4-piperidin-3-ylpyridine
CID 82399188
4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene
CID 59518913
6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene
CID 57485529

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-4-ethynylpyridine?
The IUPAC name of 3-(azetidin-3-yl)-4-ethynylpyridine (CID 74787804) is 3-(azetidin-3-yl)-4-ethynylpyridine.
What is the SMILES notation for 3-(azetidin-3-yl)-4-ethynylpyridine?
The canonical SMILES for 3-(azetidin-3-yl)-4-ethynylpyridine is C#Cc1ccncc1C1CNC1.
What is the InChIKey of 3-(azetidin-3-yl)-4-ethynylpyridine?
The InChIKey is QMHILFGMJOKSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-8-3-4-11-7-10(8)9-5-12-6-9/h1,3-4,7,9,12H,5-6H2.
What are the key properties of 3-(azetidin-3-yl)-4-ethynylpyridine?
3-(azetidin-3-yl)-4-ethynylpyridine has a molecular weight of 158.20 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-4-ethynylpyridine is sourced from PubChem (CID 74787804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).