(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone

C9H10N2O2 — CID 63106557

IUPAC(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC(O)C1
InChIInChI=1S/C9H10N2O2/c12-8-5-11(6-8)9(13)7-2-1-3-10-4-7/h1-4,8,12H,5-6H2
InChIKeyMCXHJGQQBUQDBE-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.10
Rot. Bonds1

About (3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone

(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone (PubChem CID 63106557) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
PubChem CID63106557
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC(O)C1
InChIInChI=1S/C9H10N2O2/c12-8-5-11(6-8)9(13)7-2-1-3-10-4-7/h1-4,8,12H,5-6H2
InChIKeyMCXHJGQQBUQDBE-UHFFFAOYSA-N
XLogP-0.10
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
S-[1-(pyridine-3-carbonyl)azetidin-3-yl] ethanethioate
CID 86242952
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone
CID 72698066
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846
(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868752
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110108466
[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
CID 98470590
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone (CID 63106557) is (3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CC(O)C1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone?
The InChIKey is MCXHJGQQBUQDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-8-5-11(6-8)9(13)7-2-1-3-10-4-7/h1-4,8,12H,5-6H2.
What are the key properties of (3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone?
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone has a molecular weight of 178.19 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 63106557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).