5-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one

C10H8BrF2N3O — CID 60702188

IUPAC5-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1nccn1C(F)F
InChIInChI=1S/C10H8BrF2N3O/c11-7-1-2-9(17)15(5-7)6-8-14-3-4-16(8)10(12)13/h1-5,10H,6H2
InChIKeyDULUNGPNDIUOOR-UHFFFAOYSA-N
MW304.09 g/mol
LogP2.25
Rot. Bonds3

About 5-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one

5-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one (PubChem CID 60702188) has the molecular formula C10H8BrF2N3O and a molecular weight of 304.09 g/mol. Its IUPAC name is 5-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one
PubChem CID60702188
Molecular FormulaC10H8BrF2N3O
Molecular Weight304.09 g/mol
Exact Mass302.98
IUPAC Name5-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1nccn1C(F)F
InChIInChI=1S/C10H8BrF2N3O/c11-7-1-2-9(17)15(5-7)6-8-14-3-4-16(8)10(12)13/h1-5,10H,6H2
InChIKeyDULUNGPNDIUOOR-UHFFFAOYSA-N
XLogP2.25
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 17432621
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one
CID 99791421
3-[(1-Cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 136569676
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 38867526
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethylbut-2-enamide
CID 45808461
3-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione
CID 55239008
2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
CID 56509179
1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one
CID 56793668
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 60356216
5-Bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidine-2,4-dione
CID 63776909
3-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione
CID 63810447
3-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrimidine-2,4-dione
CID 63810924

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one (CID 60702188) is 5-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one is O=c1ccc(Br)cn1Cc1nccn1C(F)F.
What is the InChIKey of 5-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one?
The InChIKey is DULUNGPNDIUOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N3O/c11-7-1-2-9(17)15(5-7)6-8-14-3-4-16(8)10(12)13/h1-5,10H,6H2.
What are the key properties of 5-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one?
5-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one has a molecular weight of 304.09 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 60702188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).