3-amino-5-bromo-1-(4,4-difluorobutyl)pyridin-4-one

C9H11BrF2N2O — CID 165480842

IUPAC3-amino-5-bromo-1-(4,4-difluorobutyl)pyridin-4-one
SMILESNc1cn(CCCC(F)F)cc(Br)c1=O
InChIInChI=1S/C9H11BrF2N2O/c10-6-4-14(3-1-2-8(11)12)5-7(13)9(6)15/h4-5,8H,1-3,13H2
InChIKeyPDZPNMDTDLHFBL-UHFFFAOYSA-N
MW281.10 g/mol
LogP2.24
Rot. Bonds4

About 3-amino-5-bromo-1-(4,4-difluorobutyl)pyridin-4-one

3-amino-5-bromo-1-(4,4-difluorobutyl)pyridin-4-one (PubChem CID 165480842) has the molecular formula C9H11BrF2N2O and a molecular weight of 281.10 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(4,4-difluorobutyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(4,4-difluorobutyl)pyridin-4-one
PubChem CID165480842
Molecular FormulaC9H11BrF2N2O
Molecular Weight281.10 g/mol
Exact Mass280.00
IUPAC Name3-amino-5-bromo-1-(4,4-difluorobutyl)pyridin-4-one
SMILESNc1cn(CCCC(F)F)cc(Br)c1=O
InChIInChI=1S/C9H11BrF2N2O/c10-6-4-14(3-1-2-8(11)12)5-7(13)9(6)15/h4-5,8H,1-3,13H2
InChIKeyPDZPNMDTDLHFBL-UHFFFAOYSA-N
XLogP2.24
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-(4,4-difluorobutyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(4,4-difluorobutyl)pyridin-4-one (CID 165480842) is 3-amino-5-bromo-1-(4,4-difluorobutyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(4,4-difluorobutyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(4,4-difluorobutyl)pyridin-4-one is Nc1cn(CCCC(F)F)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-(4,4-difluorobutyl)pyridin-4-one?
The InChIKey is PDZPNMDTDLHFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF2N2O/c10-6-4-14(3-1-2-8(11)12)5-7(13)9(6)15/h4-5,8H,1-3,13H2.
What are the key properties of 3-amino-5-bromo-1-(4,4-difluorobutyl)pyridin-4-one?
3-amino-5-bromo-1-(4,4-difluorobutyl)pyridin-4-one has a molecular weight of 281.10 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-(4,4-difluorobutyl)pyridin-4-one is sourced from PubChem (CID 165480842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).