azetidin-1-yl-(3-iodo-4-pyridinyl)methanone

C9H9IN2O — CID 130650791

IUPACazetidin-1-yl-(3-iodo-4-pyridinyl)methanone
SMILESO=C(c1ccncc1I)N1CCC1
InChIInChI=1S/C9H9IN2O/c10-8-6-11-3-2-7(8)9(13)12-4-1-5-12/h2-3,6H,1,4-5H2
InChIKeyHLMKPLIJCMDUAA-UHFFFAOYSA-N
MW288.09 g/mol
LogP1.53
Rot. Bonds1

About azetidin-1-yl-(3-iodo-4-pyridinyl)methanone

azetidin-1-yl-(3-iodo-4-pyridinyl)methanone (PubChem CID 130650791) has the molecular formula C9H9IN2O and a molecular weight of 288.09 g/mol. Its IUPAC name is azetidin-1-yl-(3-iodo-4-pyridinyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(3-iodo-4-pyridinyl)methanone
PubChem CID130650791
Molecular FormulaC9H9IN2O
Molecular Weight288.09 g/mol
Exact Mass287.98
IUPAC Nameazetidin-1-yl-(3-iodo-4-pyridinyl)methanone
SMILESO=C(c1ccncc1I)N1CCC1
InChIInChI=1S/C9H9IN2O/c10-8-6-11-3-2-7(8)9(13)12-4-1-5-12/h2-3,6H,1,4-5H2
InChIKeyHLMKPLIJCMDUAA-UHFFFAOYSA-N
XLogP1.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-4-pyridinyl)-piperidin-1-ylmethanone
CID 130772047
(3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 91664716
[4-(2-iodobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108534189
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
(3-hydroxy-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 80707017
(E)-3-[4-(piperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 66472882
(3-chloro-4-pyridinyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 66483588
[4-(3-fluoropyridine-4-carbonyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 137338139
(4-chloro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 81226471
(3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 80706861
(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 121184189
(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119402073

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(3-iodo-4-pyridinyl)methanone?
The IUPAC name of azetidin-1-yl-(3-iodo-4-pyridinyl)methanone (CID 130650791) is azetidin-1-yl-(3-iodo-4-pyridinyl)methanone.
What is the SMILES notation for azetidin-1-yl-(3-iodo-4-pyridinyl)methanone?
The canonical SMILES for azetidin-1-yl-(3-iodo-4-pyridinyl)methanone is O=C(c1ccncc1I)N1CCC1.
What is the InChIKey of azetidin-1-yl-(3-iodo-4-pyridinyl)methanone?
The InChIKey is HLMKPLIJCMDUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2O/c10-8-6-11-3-2-7(8)9(13)12-4-1-5-12/h2-3,6H,1,4-5H2.
What are the key properties of azetidin-1-yl-(3-iodo-4-pyridinyl)methanone?
azetidin-1-yl-(3-iodo-4-pyridinyl)methanone has a molecular weight of 288.09 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(3-iodo-4-pyridinyl)methanone is sourced from PubChem (CID 130650791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).