(6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone

C9H9ClN2O2 — CID 63106950

IUPAC(6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)nc1)N1CC(O)C1
InChIInChI=1S/C9H9ClN2O2/c10-8-2-1-6(3-11-8)9(14)12-4-7(13)5-12/h1-3,7,13H,4-5H2
InChIKeyLMUVAZCPXFLHDN-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.55
Rot. Bonds1

About (6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone

(6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 63106950) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
PubChem CID63106950
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name(6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)nc1)N1CC(O)C1
InChIInChI=1S/C9H9ClN2O2/c10-8-2-1-6(3-11-8)9(14)12-4-7(13)5-12/h1-3,7,13H,4-5H2
InChIKeyLMUVAZCPXFLHDN-UHFFFAOYSA-N
XLogP0.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone
CID 162440321
(6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103532739
(3S,4S)-1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085428
1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63722081
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328
1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356769
(6-chloro-3-pyridinyl)-(3,3-dimethylazetidin-1-yl)methanone
CID 131069080
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052707
(6-chloro-3-pyridinyl)-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methanone
CID 134062230
(6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611722
(6-chloro-3-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61045525
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone (CID 63106950) is (6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone is O=C(c1ccc(Cl)nc1)N1CC(O)C1.
What is the InChIKey of (6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is LMUVAZCPXFLHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-8-2-1-6(3-11-8)9(14)12-4-7(13)5-12/h1-3,7,13H,4-5H2.
What are the key properties of (6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone?
(6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 212.64 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 63106950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).