azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone

C10H9BrF2N2O — CID 156563536

IUPACazetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1ncc(Br)cc1C(F)F)N1CCC1
InChIInChI=1S/C10H9BrF2N2O/c11-6-4-7(9(12)13)8(14-5-6)10(16)15-2-1-3-15/h4-5,9H,1-3H2
InChIKeyOMKNIXOAOOHIJW-UHFFFAOYSA-N
MW291.09 g/mol
LogP2.63
Rot. Bonds2

About azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone

azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone (PubChem CID 156563536) has the molecular formula C10H9BrF2N2O and a molecular weight of 291.09 g/mol. Its IUPAC name is azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone
PubChem CID156563536
Molecular FormulaC10H9BrF2N2O
Molecular Weight291.09 g/mol
Exact Mass289.99
IUPAC Nameazetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1ncc(Br)cc1C(F)F)N1CCC1
InChIInChI=1S/C10H9BrF2N2O/c11-6-4-7(9(12)13)8(14-5-6)10(16)15-2-1-3-15/h4-5,9H,1-3H2
InChIKeyOMKNIXOAOOHIJW-UHFFFAOYSA-N
XLogP2.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone (CID 156563536) is azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone is O=C(c1ncc(Br)cc1C(F)F)N1CCC1.
What is the InChIKey of azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone?
The InChIKey is OMKNIXOAOOHIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2N2O/c11-6-4-7(9(12)13)8(14-5-6)10(16)15-2-1-3-15/h4-5,9H,1-3H2.
What are the key properties of azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone?
azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone has a molecular weight of 291.09 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 156563536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).