5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one

C6H5BrFNO — CID 118025211

IUPAC5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one
SMILESCc1c(Br)c[nH]c(=O)c1F
InChIInChI=1S/C6H5BrFNO/c1-3-4(7)2-9-6(10)5(3)8/h2H,1H3,(H,9,10)
InChIKeyMRCZWVZTDWUEME-UHFFFAOYSA-N
MW206.01 g/mol
LogP1.58
Rot. Bonds

About 5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one

5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one (PubChem CID 118025211) has the molecular formula C6H5BrFNO and a molecular weight of 206.01 g/mol. Its IUPAC name is 5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one
PubChem CID118025211
Molecular FormulaC6H5BrFNO
Molecular Weight206.01 g/mol
Exact Mass204.95
IUPAC Name5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one
SMILESCc1c(Br)c[nH]c(=O)c1F
InChIInChI=1S/C6H5BrFNO/c1-3-4(7)2-9-6(10)5(3)8/h2H,1H3,(H,9,10)
InChIKeyMRCZWVZTDWUEME-UHFFFAOYSA-N
XLogP1.58
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.01
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Bromo-2-hydroxy-4-methylpyridine
CID 819937
3-Bromo-4-methylpyridin-2-ol
CID 13463813
5-Bromo-4-(trifluoromethyl)pyridin-2-ol
CID 19996518
3-Amino-5-bromo-4-methylpyridin-2-ol
CID 33695060
4-Bromo-3,5-dimethyl-2(1H)-pyridinone
CID 67814263
5-Bromo-1-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 90025669
5-Bromo-4-methyl-1,2-dihydropyridin-2-one hydrochloride
CID 86811600
3,5-Dibromo-4-(trifluoromethyl)pyridin-2-ol
CID 20152366
3-bromo-5-(fluoromethyl)-1H-pyridin-2-one
CID 70864353
4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one
CID 91081042
3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one
CID 91200929
5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 118024760

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one (CID 118025211) is 5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one is Cc1c(Br)c[nH]c(=O)c1F.
What is the InChIKey of 5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one?
The InChIKey is MRCZWVZTDWUEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO/c1-3-4(7)2-9-6(10)5(3)8/h2H,1H3,(H,9,10).
What are the key properties of 5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one?
5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one has a molecular weight of 206.01 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118025211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).