azetidin-1-yl-(2-chloro-4-pyridinyl)methanone

C9H9ClN2O — CID 58113908

IUPACazetidin-1-yl-(2-chloro-4-pyridinyl)methanone
SMILESO=C(c1ccnc(Cl)c1)N1CCC1
InChIInChI=1S/C9H9ClN2O/c10-8-6-7(2-3-11-8)9(13)12-4-1-5-12/h2-3,6H,1,4-5H2
InChIKeyZNQOBFJHVDUJFU-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.58
Rot. Bonds1

About azetidin-1-yl-(2-chloro-4-pyridinyl)methanone

azetidin-1-yl-(2-chloro-4-pyridinyl)methanone (PubChem CID 58113908) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is azetidin-1-yl-(2-chloro-4-pyridinyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(2-chloro-4-pyridinyl)methanone
PubChem CID58113908
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Nameazetidin-1-yl-(2-chloro-4-pyridinyl)methanone
SMILESO=C(c1ccnc(Cl)c1)N1CCC1
InChIInChI=1S/C9H9ClN2O/c10-8-6-7(2-3-11-8)9(13)12-4-1-5-12/h2-3,6H,1,4-5H2
InChIKeyZNQOBFJHVDUJFU-UHFFFAOYSA-N
XLogP1.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.58
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

(4-tert-butylpiperazin-1-yl)-(2-chloro-4-pyridinyl)methanone
CID 61073425
(2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 103857585
(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 89194471
(2-chloro-4-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63657797
(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284
[4-(2,6-dichloropyridine-4-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 78878529
1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 47124151
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 34182939
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 107526554
(2-oxo-2-pyrrolidin-1-ylethyl) 2-chloropyridine-4-carboxylate
CID 23773721
1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide
CID 75476198

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(2-chloro-4-pyridinyl)methanone?
The IUPAC name of azetidin-1-yl-(2-chloro-4-pyridinyl)methanone (CID 58113908) is azetidin-1-yl-(2-chloro-4-pyridinyl)methanone.
What is the SMILES notation for azetidin-1-yl-(2-chloro-4-pyridinyl)methanone?
The canonical SMILES for azetidin-1-yl-(2-chloro-4-pyridinyl)methanone is O=C(c1ccnc(Cl)c1)N1CCC1.
What is the InChIKey of azetidin-1-yl-(2-chloro-4-pyridinyl)methanone?
The InChIKey is ZNQOBFJHVDUJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-8-6-7(2-3-11-8)9(13)12-4-1-5-12/h2-3,6H,1,4-5H2.
What are the key properties of azetidin-1-yl-(2-chloro-4-pyridinyl)methanone?
azetidin-1-yl-(2-chloro-4-pyridinyl)methanone has a molecular weight of 196.64 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(2-chloro-4-pyridinyl)methanone is sourced from PubChem (CID 58113908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).