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

C9H9BrN2O — CID 53484535

IUPACazetidin-1-yl-(4-bromo-2-pyridinyl)methanone
SMILESO=C(c1cc(Br)ccn1)N1CCC1
InChIInChI=1S/C9H9BrN2O/c10-7-2-3-11-8(6-7)9(13)12-4-1-5-12/h2-3,6H,1,4-5H2
InChIKeyKQNQGXLZQVBIRC-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.69
Rot. Bonds1

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

azetidin-1-yl-(4-bromo-2-pyridinyl)methanone (PubChem CID 53484535) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is azetidin-1-yl-(4-bromo-2-pyridinyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(4-bromo-2-pyridinyl)methanone
PubChem CID53484535
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Nameazetidin-1-yl-(4-bromo-2-pyridinyl)methanone
SMILESO=C(c1cc(Br)ccn1)N1CCC1
InChIInChI=1S/C9H9BrN2O/c10-7-2-3-11-8(6-7)9(13)12-4-1-5-12/h2-3,6H,1,4-5H2
InChIKeyKQNQGXLZQVBIRC-UHFFFAOYSA-N
XLogP1.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
[4-(4-bromo-2-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203773
N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081299
[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203679
[4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208197
azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone
CID 109216956
N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide
CID 102820657
[2-(3-bromoanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298556
N-(2-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081328

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(4-bromo-2-pyridinyl)methanone?
The IUPAC name of azetidin-1-yl-(4-bromo-2-pyridinyl)methanone (CID 53484535) is azetidin-1-yl-(4-bromo-2-pyridinyl)methanone.
What is the SMILES notation for azetidin-1-yl-(4-bromo-2-pyridinyl)methanone?
The canonical SMILES for azetidin-1-yl-(4-bromo-2-pyridinyl)methanone is O=C(c1cc(Br)ccn1)N1CCC1.
What is the InChIKey of azetidin-1-yl-(4-bromo-2-pyridinyl)methanone?
The InChIKey is KQNQGXLZQVBIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-7-2-3-11-8(6-7)9(13)12-4-1-5-12/h2-3,6H,1,4-5H2.
What are the key properties of azetidin-1-yl-(4-bromo-2-pyridinyl)methanone?
azetidin-1-yl-(4-bromo-2-pyridinyl)methanone has a molecular weight of 241.09 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(4-bromo-2-pyridinyl)methanone is sourced from PubChem (CID 53484535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).