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

C10H11ClN2O — CID 162440321

IUPAC(6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C10H11ClN2O/c1-7-5-13(6-7)10(14)8-2-3-9(11)12-4-8/h2-4,7H,5-6H2,1H3
InChIKeyWYVKICAMUFGAHR-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.83
Rot. Bonds1

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

(6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone (PubChem CID 162440321) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone
PubChem CID162440321
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name(6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C10H11ClN2O/c1-7-5-13(6-7)10(14)8-2-3-9(11)12-4-8/h2-4,7H,5-6H2,1H3
InChIKeyWYVKICAMUFGAHR-UHFFFAOYSA-N
XLogP1.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106950
(6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611722
(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
(6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103532739
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897
2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 51257092
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328
(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)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61045525

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone (CID 162440321) is (6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone is CC1CN(C(=O)c2ccc(Cl)nc2)C1.
What is the InChIKey of (6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone?
The InChIKey is WYVKICAMUFGAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-7-5-13(6-7)10(14)8-2-3-9(11)12-4-8/h2-4,7H,5-6H2,1H3.
What are the key properties of (6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone?
(6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone has a molecular weight of 210.66 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 162440321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).