azetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone

C9H8Cl2N2O — CID 154067402

IUPACazetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone
SMILESO=C(c1ccnc(Cl)c1Cl)N1CCC1
InChIInChI=1S/C9H8Cl2N2O/c10-7-6(2-3-12-8(7)11)9(14)13-4-1-5-13/h2-3H,1,4-5H2
InChIKeyMNHWYBUWZGNQHJ-UHFFFAOYSA-N
MW231.08 g/mol
LogP2.23
Rot. Bonds1

About azetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone

azetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone (PubChem CID 154067402) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is azetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone
PubChem CID154067402
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Nameazetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone
SMILESO=C(c1ccnc(Cl)c1Cl)N1CCC1
InChIInChI=1S/C9H8Cl2N2O/c10-7-6(2-3-12-8(7)11)9(14)13-4-1-5-13/h2-3H,1,4-5H2
InChIKeyMNHWYBUWZGNQHJ-UHFFFAOYSA-N
XLogP2.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 52.23
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

azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908
(2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 105380117
(2-chloro-3-pyridinyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone
CID 2353198
(2,3-dichloro-4-pyridinyl)-(3-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone
CID 134686742
azetidin-1-yl-(3-iodo-4-pyridinyl)methanone
CID 130650791
4-(2-chloropyridine-3-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102848032
azetidin-1-yl-(5-chloroquinolin-8-yl)methanone
CID 166196760
(2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 154746917
azetidin-1-yl-(2-chloro-4-iodophenyl)methanone
CID 172647056
(2-chloro-3-nitro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300640
(4-benzylpiperazin-1-yl)-(2-chloro-3-fluoro-4-pyridinyl)methanone
CID 110853109
(2,3-dichloro-4-pyridinyl)-[3-[(3E)-hexa-1,3,5-trien-3-yl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone
CID 144720479

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone?
The IUPAC name of azetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone (CID 154067402) is azetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone.
What is the SMILES notation for azetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone?
The canonical SMILES for azetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone is O=C(c1ccnc(Cl)c1Cl)N1CCC1.
What is the InChIKey of azetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone?
The InChIKey is MNHWYBUWZGNQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O/c10-7-6(2-3-12-8(7)11)9(14)13-4-1-5-13/h2-3H,1,4-5H2.
What are the key properties of azetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone?
azetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone has a molecular weight of 231.08 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone is sourced from PubChem (CID 154067402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).