4-bromo-1,3,5-trimethylpyridin-2-one

C8H10BrNO — CID 67813387

IUPAC4-bromo-1,3,5-trimethylpyridin-2-one
SMILESCc1cn(C)c(=O)c(C)c1Br
InChIInChI=1S/C8H10BrNO/c1-5-4-10(3)8(11)6(2)7(5)9/h4H,1-3H3
InChIKeyCVPLYQQPSCQMRG-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.76
Rot. Bonds

About 4-bromo-1,3,5-trimethylpyridin-2-one

4-bromo-1,3,5-trimethylpyridin-2-one (PubChem CID 67813387) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 4-bromo-1,3,5-trimethylpyridin-2-one.

Molecular Properties

Compound Name4-bromo-1,3,5-trimethylpyridin-2-one
PubChem CID67813387
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name4-bromo-1,3,5-trimethylpyridin-2-one
SMILESCc1cn(C)c(=O)c(C)c1Br
InChIInChI=1S/C8H10BrNO/c1-5-4-10(3)8(11)6(2)7(5)9/h4H,1-3H3
InChIKeyCVPLYQQPSCQMRG-UHFFFAOYSA-N
XLogP1.76
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-1,3-dimethylpyridin-2(1H)-one
CID 12272664
5-Bromo-1,4-dimethyl-1,2-dihydropyridin-2-one
CID 67281826
4-Bromo-3,5-dimethyl-2(1H)-pyridinone
CID 67814263
2(1H)-Pyridinone, 3-bromo-1,5-dimethyl-
CID 74890566
5-Bromo-4-tert-butyl-1-methyl-3-(trifluoromethyl)pyridin-2-one
CID 176384793
1,3,5-Trimethyl-1,2-dihydropyridin-2-one
CID 12465882
5-(Bromomethyl)-1-methylpyridin-2(1H)-one
CID 19781644
1,3,4,5-Tetramethylpyridin-2-one
CID 20872575
5-Ethyl-1,3-dimethylpyridin-2-one
CID 20872604
5-Bromo-1-ethyl-4-methylpyridin-2-one
CID 84103132
3-Bromo-1-ethyl-5-methyl-2(1H)-pyridinone
CID 84317862
5-bromo-N,N,1-trimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 89783539

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3,5-trimethylpyridin-2-one?
The IUPAC name of 4-bromo-1,3,5-trimethylpyridin-2-one (CID 67813387) is 4-bromo-1,3,5-trimethylpyridin-2-one.
What is the SMILES notation for 4-bromo-1,3,5-trimethylpyridin-2-one?
The canonical SMILES for 4-bromo-1,3,5-trimethylpyridin-2-one is Cc1cn(C)c(=O)c(C)c1Br.
What is the InChIKey of 4-bromo-1,3,5-trimethylpyridin-2-one?
The InChIKey is CVPLYQQPSCQMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-5-4-10(3)8(11)6(2)7(5)9/h4H,1-3H3.
What are the key properties of 4-bromo-1,3,5-trimethylpyridin-2-one?
4-bromo-1,3,5-trimethylpyridin-2-one has a molecular weight of 216.08 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3,5-trimethylpyridin-2-one is sourced from PubChem (CID 67813387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).