propan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate

C15H19BrF2N2O2 — CID 138497823

IUPACpropan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate
SMILESCc1nc(C)c(CC(=O)OC(C)C)c(N2CC(F)(F)C2)c1Br
InChIInChI=1S/C15H19BrF2N2O2/c1-8(2)22-12(21)5-11-9(3)19-10(4)13(16)14(11)20-6-15(17,18)7-20/h8H,5-7H2,1-4H3
InChIKeyWKMYUIOHPCYWTE-UHFFFAOYSA-N
MW377.23 g/mol
LogP3.41
Rot. Bonds4

About propan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate

propan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate (PubChem CID 138497823) has the molecular formula C15H19BrF2N2O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is propan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate
PubChem CID138497823
Molecular FormulaC15H19BrF2N2O2
Molecular Weight377.23 g/mol
Exact Mass376.06
IUPAC Namepropan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate
SMILESCc1nc(C)c(CC(=O)OC(C)C)c(N2CC(F)(F)C2)c1Br
InChIInChI=1S/C15H19BrF2N2O2/c1-8(2)22-12(21)5-11-9(3)19-10(4)13(16)14(11)20-6-15(17,18)7-20/h8H,5-7H2,1-4H3
InChIKeyWKMYUIOHPCYWTE-UHFFFAOYSA-N
XLogP3.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate with MolForge

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Launch Full Analysis

Related Compounds

Isopropyl 2-(5-bromo-2,6-dimethyl-4-(4-(trifluoromethyl)piperidin-1-yl)pyridin-3-yl)-2-oxoacetate
CID 118307679
Propan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-hydroxyacetate
CID 118307707
(S)-isopropyl 2-(5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethylpyridin-3-yl)-2-hydroxyacetate
CID 118307708
Isopropyl 2-(5-bromo-4-(4-fluoro-4-methylpiperidin-1-yl)-2,6-dimethylpyridin-3-yl)-2-oxoacetate
CID 118307830
Propan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 118307849
(S)-isopropyl 2-(5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethylpyridin-3-yl)-2-(tert-butoxy)acetate
CID 118307850
Isopropyl 2-(5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethylpyridin-3-yl)-2-oxoacetate
CID 118307859
Propan-2-yl 2-[5-bromo-4-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,6-dimethylpyridin-3-yl]-2-oxoacetate
CID 126589903
Propan-2-yl 2-[5-bromo-4-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,6-dimethyl-3-pyridinyl]acetate
CID 126590270
Propan-2-yl 2-[5-bromo-4-(4-fluoro-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate
CID 138497856
Propan-2-yl 2-[5-bromo-2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]acetate
CID 145227436
Ethyl 2-[4-amino-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134658563

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate?
The IUPAC name of propan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate (CID 138497823) is propan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate.
What is the SMILES notation for propan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate?
The canonical SMILES for propan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate is Cc1nc(C)c(CC(=O)OC(C)C)c(N2CC(F)(F)C2)c1Br.
What is the InChIKey of propan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate?
The InChIKey is WKMYUIOHPCYWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF2N2O2/c1-8(2)22-12(21)5-11-9(3)19-10(4)13(16)14(11)20-6-15(17,18)7-20/h8H,5-7H2,1-4H3.
What are the key properties of propan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate?
propan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate has a molecular weight of 377.23 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[5-bromo-4-(3,3-difluoroazetidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetate is sourced from PubChem (CID 138497823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).