4-(oxetan-3-ylmethyl)pyridine

C9H11NO — CID 129452903

IUPAC4-(oxetan-3-ylmethyl)pyridine
SMILESc1cc(CC2COC2)ccn1
InChIInChI=1S/C9H11NO/c1-3-10-4-2-8(1)5-9-6-11-7-9/h1-4,9H,5-7H2
InChIKeyCKTLCXVPQLWUMI-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.27
Rot. Bonds2

About 4-(oxetan-3-ylmethyl)pyridine

4-(oxetan-3-ylmethyl)pyridine (PubChem CID 129452903) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-(oxetan-3-ylmethyl)pyridine.

Molecular Properties

Compound Name4-(oxetan-3-ylmethyl)pyridine
PubChem CID129452903
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-(oxetan-3-ylmethyl)pyridine
SMILESc1cc(CC2COC2)ccn1
InChIInChI=1S/C9H11NO/c1-3-10-4-2-8(1)5-9-6-11-7-9/h1-4,9H,5-7H2
InChIKeyCKTLCXVPQLWUMI-UHFFFAOYSA-N
XLogP1.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(oxetan-3-ylmethyl)benzenesulfonyl chloride
CID 84705898
4-(piperidin-1-ium-4-ylmethyl)pyridine
CID 26369534
N-methyl-4-(pyridin-4-ylmethyl)cyclohexan-1-amine
CID 73440193
2-[4-(oxetan-3-ylmethyl)phenyl]propan-2-amine
CID 115004657
N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine
CID 121358962
2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol
CID 10242773
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97269713
3-[4-(oxetan-3-ylmethyl)phenyl]propanoic acid
CID 115004684
N-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine
CID 115004660
(3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol
CID 93384643
4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde
CID 175396655
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855

Frequently Asked Questions

What is the IUPAC name of 4-(oxetan-3-ylmethyl)pyridine?
The IUPAC name of 4-(oxetan-3-ylmethyl)pyridine (CID 129452903) is 4-(oxetan-3-ylmethyl)pyridine.
What is the SMILES notation for 4-(oxetan-3-ylmethyl)pyridine?
The canonical SMILES for 4-(oxetan-3-ylmethyl)pyridine is c1cc(CC2COC2)ccn1.
What is the InChIKey of 4-(oxetan-3-ylmethyl)pyridine?
The InChIKey is CKTLCXVPQLWUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-10-4-2-8(1)5-9-6-11-7-9/h1-4,9H,5-7H2.
What are the key properties of 4-(oxetan-3-ylmethyl)pyridine?
4-(oxetan-3-ylmethyl)pyridine has a molecular weight of 149.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxetan-3-ylmethyl)pyridine is sourced from PubChem (CID 129452903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).